SCHEMBL507777

SCHEMBL507777

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3ccc(C(=O)c4cccnc4)cc3)c2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
GPR119 Q8TDV5 3/20 0.39
GBA1 P04062 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
POLB P06746 1/20 0.36
NAMPT P43490 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
ESR2 Q92731 1/20 0.36
GRM5 P41594 1/20 0.36
GRM1 Q13255 1/20 0.36
KDM1A O60341 2/20 0.35
MAPT P10636 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL506895 0.84 GPR119 (0.42) HDAC1HDAC6GPR119SMN1; SMN2GAA
SCHEMBL507934 0.84 ESR2 (0.42) HDAC1HDAC6GPR119SMN1; SMN2GAA
SCHEMBL507306 0.83 ESR2 (0.36) HDAC1HDAC6GPR119SMN1; SMN2GAA
SCHEMBL506835 0.83 ESR2 (0.43) GPR119SMN1; SMN2GAATHRBPOLB
SCHEMBL507530 0.82 ESR2 (0.43) SMN1; SMN2GAATHRBPOLBESR2
SCHEMBL506870 0.81 ESR2 (0.41) GPR119SMN1; SMN2GAATHRBESR2
SCHEMBL507361 0.81 ESR2 (0.41) GPR119SMN1; SMN2GAATHRBPOLB
SCHEMBL507728 0.81 ESR2 (0.44) GPR119SMN1; SMN2GAATHRBPOLB
SCHEMBL507558 0.81 KDM1A (0.47) GPR119SMN1; SMN2GAATHRBESR2
SCHEMBL507094 0.80 GPR119 (0.46) GPR119SMN1; SMN2GAATHRBESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HDAC1 1188/4885HDAC6 1861/4885CCNA2 1986/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HDAC1 2361/4885HDAC6 2510/4885CCNA2 2218/4885

“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.