SCHEMBL4310484

SCHEMBL4310484

COc1cccc2ccc(Br)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.55
BCHE P06276 5/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NQO1 P15559 1/20 0.48
MAPT P10636 3/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
CYP2A6 P11509 1/20 0.43
IDO1 P14902 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
PRNP P04156 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL6312903 0.85 KDM4E (0.51) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL8393507 0.79 NQO1 (0.67) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL29919905 0.79 NQO1 (0.67) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL443625 0.78 CYP1A2 (0.57) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL1402595 0.78 NQO1 (0.50) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL30088510 0.78 CYP1A2 (0.57) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL12804576 0.78 ACHE (0.56) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL3160337 0.78 CYP2A6 (0.59) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL28862956 0.78 RXFP1 (0.44) ACHEKDM4ENQO1MAPTPOLB
SCHEMBL8391116 0.77 ALDH1A1 (0.59) ACHEBCHEKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880827-B The application of the reuptake of aryl and the substituted tetrahydroisoquinoline of heteroaryl and blocking-up norepinephrine, dopamine and serotonin 阿尔巴尼分子研究公司 2017-01-04 CN disclosed
US-9499531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2016-11-22 US disclosed
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN CURIA GLOBAL, INC. 2015-10-01 US disclosed
EP-1778639-B1 ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RES INC (US) 2015-09-02 EP disclosed
US-9085531-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-07-21 US disclosed
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2014-08-28 US disclosed
US-8741901-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-03 US disclosed
US-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-03 US disclosed
US-8236796-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-07 US disclosed
US-8227486-B2 Aryl- and heteroaryl-substituted tetrahydroisoquinolines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-24 US disclosed
US-20030153764-A1 Process for preparing 4-substituted piperidines ELI LILLY AND COMPANY 2003-08-14 US disclosed
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines ELI LILLY AND COMPANY 2003-05-15 US disclosed
EP-1244623-A1 A PROCESS FOR PREPARING 4-SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
EP-1244622-A1 A PROCESS FOR PREPARING TRANS-2,4-DISUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2002-10-02 EP disclosed
EP-1242411-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2002-09-25 EP disclosed
WO-2001046143-A1 A PROCESS FOR PREPARING TRANS-2,4-DISUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046181-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
WO-2001046147-A1 A PROCESS FOR PREPARING 4-SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY (US) 2001-06-28 WO disclosed
EP-0975571-A1 METHOD FOR PREPARING AROMATIC ALDEHYDES RHODIA CHIMIE (FR) 2000-02-02 EP disclosed
WO-1998047848-A1 METHOD FOR PREPARING AROMATIC ALDEHYDES RHODIA CHIMIE (FR) 1998-10-29 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 (5 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-20130005965-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 ACHE 639/4885BCHE 812/4885KDM4E 1727/4885
US-20150274713-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 ACHE 639/4885BCHE 812/4885KDM4E 1727/4885
US-20140243524-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN DRD4, SLC6A4, HTR4 ACHE 639/4885BCHE 812/4885KDM4E 1727/4885
US-20030092733-A1 Process for preparing trans-2,4-disubstituted piperidines CYP4B1, CYP1A1, CYP3A4 ACHE 2275/4885BCHE 3593/4885KDM4E 1186/4885
US-20030153764-A1 Process for preparing 4-substituted piperidines PDGFRA, GTF3C5, GRIA4 ACHE 4105/4885BCHE 4602/4885KDM4E 563/4885

“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.