SCHEMBL1249028

SCHEMBL1249028

C[Si](C)(C)c1cc2cc(Br)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
LMNA P02545 2/20 0.46
APP P05067 3/20 0.40
RAB9A P51151 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DYRK1A Q13627 2/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CYP2A6 P11509 1/20 0.34
PPARA Q07869 3/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6813386 0.86 APP (0.41) HSP90AA1APPRAB9AMEN1KMT2A
SCHEMBL15274426 0.80 HSP90AA1 (0.44) HSP90AA1LMNAAPPRAB9AMEN1
SCHEMBL15274417 0.77 NPC1 (0.31) RAB9ANPC1ALDH1A1MAPT
SCHEMBL6596113 0.74 CYP2A6 (0.48) APPCYP2A6
SCHEMBL1744396 0.74 HSP90AA1 (0.52) HSP90AA1LMNARAB9AMEN1KMT2A
SCHEMBL28469540 0.73 HSP90AA1 (0.47) HSP90AA1LMNAAPPRAB9AMEN1
SCHEMBL17669579 0.73 CYP2A6 (0.47) RAB9AALDH1A1CYP2A6
SCHEMBL3125932 0.73 HSP90AA1 (0.55) HSP90AA1LMNAAPPRAB9AMEN1
SCHEMBL21326404 0.71 HSP90AA1 (0.53) HSP90AA1LMNAAPPRAB9AMEN1
SCHEMBL3478352 0.71 HSP90AA1 (0.49) HSP90AA1LMNARAB9AMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2020-05-26 US disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2018-11-20 US disclosed
EP-1904069-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2018-06-13 EP disclosed
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2017-12-21 US disclosed
WO-2017180457-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-19 WO disclosed
US-9790198-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV (BE) 2017-10-17 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
EP-3204361-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES Janssen Pharmaceutica N.V. (BE) 2017-08-16 EP disclosed
US-9403776-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-08-02 US disclosed
US-7956050-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2011-06-07 US disclosed
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2011-02-24 US disclosed
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2009-05-07 US disclosed
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders AMR TECHNOLOGY, INC. (US) 2008-08-28 US disclosed
EP-1904069-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2008-04-02 EP disclosed
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse AMR TECHNOLOGY, INC. (US) 2007-01-25 US disclosed
WO-2007011820-A2 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2007-01-25 WO disclosed
US-20040122001-A1 Pharmaceutical compounds ELI LILLY AND COMPANY 2004-06-24 US disclosed
EP-1345930-A2 PHARMACEUTICAL COMPOUNDS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
WO-2002050067-A2 PHARMACEUTICAL HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 HSP90AA1 2024/4885LMNA 4456/4885APP 2562/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 HSP90AA1 2024/4885LMNA 4456/4885APP 2562/4885
US-20170362196-A1 SUBSTITUTED BENZOTHIOPHENYL DERIVATIVES AS GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR52, GPR65 HSP90AA1 1799/4885LMNA 4463/4885APP 3866/4885
US-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C HSP90AA1 2474/4885LMNA 3305/4885APP 990/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 HSP90AA1 3406/4885LMNA 2543/4885APP 1179/4885
US-10662170-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 HSP90AA1 1799/4885LMNA 4463/4885APP 3866/4885
US-10131648-B2 Substituted benzothiophenyl derivatives as GPR40 agonists for the treatment of type II diabetes GPR119, GPR52, GPR65 HSP90AA1 1799/4885LMNA 4463/4885APP 3866/4885
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B HSP90AA1 3304/4885LMNA 2163/4885APP 847/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B HSP90AA1 3304/4885LMNA 2163/4885APP 847/4885
US-20040122001-A1 Pharmaceutical compounds CYP2D6, LPXN, CYP1B1 HSP90AA1 4086/4885LMNA 1448/4885APP 2128/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.