SCHEMBL3563846

SCHEMBL3563846

CCOc1ccc(B(O)O)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
NQO1 P15559 1/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PDK2 Q15119 2/20 0.41
AR P10275 2/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
PAX8 Q06710 1/20 0.39
MAPK1 P28482 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
LTA4H P09960 1/20 0.37
NPC1 O15118 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL29955103 1.00 LMNA (0.42) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL1436749 0.87 PDK2 (0.44) MAPTL3MBTL1KMT2AKDM4EPDK2
SCHEMBL41862 0.81 EPHX2 (0.44) LMNAMAPTL3MBTL1ATMAR
SCHEMBL29653552 0.81 EPHX2 (0.44) LMNAMAPTL3MBTL1ATMAR
SCHEMBL15332562 0.80 AR (0.50) LMNAPDK2AR
SCHEMBL5953481 0.80 L3MBTL1 (0.43) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL5953654 0.79 MAPT (0.45) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL10088500 0.78 NQO1 (0.43) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL29956388 0.78 L3MBTL1 (0.44) LMNAMAPTL3MBTL1ATMNQO1
SCHEMBL28050159 0.77 NQO1 (0.46) MAPTNQO1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675859-B1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL MYERS SQUIBB CO (US) 2012-12-05 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
US-7238690-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-03 US disclosed
US-RE39679-E1 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-06-05 US disclosed
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines BRISTOL-MYERS SQUIBB PHARMA COMPANY 2006-08-10 US disclosed
US-7081455-B2 Substituted heterocycle fused gamma-carbolines BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-25 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-6713471-B1 SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-30 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
EP-1343791-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
US-6548493-B1 Serotonin receptor modulators (5-HT2C and 5-HT2A); treating obesity, anxiety, depression, psychological disorders, migraine, sexual disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
WO-2002059129-A2 SUBSTITUTED TETRACYCLIC PYRIDOINDOLES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO disclosed
EP-1192165-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-04-03 EP disclosed
EP-1189905-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES Bristol-Myers Squibb Pharma Company (US) 2002-03-27 EP disclosed
WO-2000077010-A2 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 WO disclosed
WO-2000077001-A1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES DU PONT PHARMACEUTICALS COMPANY (US) 2000-12-21 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 LMNA 2542/4885MAPT 3760/4885L3MBTL1 3041/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A LMNA 3911/4885MAPT 1050/4885L3MBTL1 3282/4885
US-20060178362-A1 Substituted heterocyle fused gamma-carbolines HTR2B, HTR1B, HTR3B LMNA 1196/4885MAPT 4242/4885L3MBTL1 583/4885

“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.