SCHEMBL1248852

SCHEMBL1248852

COc1ccc2c(c1)NCCC=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTR2C P28335 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HTR5A P47898 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SNCA P37840 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOX1 Q9Y5S8 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL9331168 0.81 PDE3B (0.35) GAAHTR2CPDE3BPDE3AHTR5A
SCHEMBL11698216 0.75 PDE3B (0.49) GAAPDE3BPDE3AHTR5AMEN1
SCHEMBL23473668 0.75 NISCH (0.33) GAANISCHALDH1A1
SCHEMBL10669056 0.72 PDE3B (0.48) GAAPDE3BPDE3AHTR5AKMT2A
SCHEMBL1479378 0.71 MAOA (0.50) GAACYP11B1CYP11B2MAOAMAOB
SCHEMBL28960338 0.71 PDE3B (0.41) GAAPDE3BPDE3AHTR5AMEN1
SCHEMBL4366398 0.70 PDE3B (0.41) GAAPDE3BPDE3AMEN1KMT2A
SCHEMBL14976736 0.70 MEN1 (0.48) HTR2CPDE3BPDE3AHTR5AMEN1
SCHEMBL448758 0.70 GAA (0.44) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL30025932 0.69 HTR2C (0.50) HTR2CPDE3BPDE3AHTR5AALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-10-02 US disclosed
US-8791101-B2 Aryl- and heteroaryl-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2014-07-29 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

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-20080207595-A9 Psychological disorders; analgesics; hyperactivity; eating disorders OPRL1, HTR1B, HTR3C GAA 541/4885HTR2C 5/4885PDE3B 1879/4885
US-20070021408-A1 Psychological disorders; analgesics; eating disorders; drug abuse OPRD1, OPRK1, OPRL1 GAA 1220/4885HTR2C 10/4885PDE3B 2122/4885
US-20140296514-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B GAA 2436/4885HTR2C 15/4885PDE3B 596/4885
US-20110046114-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B GAA 2436/4885HTR2C 15/4885PDE3B 596/4885
US-20090118260-A1 ARYL- AND HETEROARYL-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, ADRA2C, HTR2B GAA 2436/4885HTR2C 15/4885PDE3B 596/4885

“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.