SCHEMBL6787744

SCHEMBL6787744

COc1ccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2C P28335 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM1A O60341 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
EP300 Q09472 2/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
PLAT P00750 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 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
SCHEMBL6787739 1.00 HTR1A (0.43) HTR1AHTR7MEN1KMT2AHTR2C
SCHEMBL6791237 0.88 CYP2C19 (0.45) HTR1AHTR7HTR2CTDP1PLAT
SCHEMBL6791230 0.88 CYP2C19 (0.45) HTR1AHTR7HTR2CTDP1PLAT
SCHEMBL6782315 0.87 HTR2C (0.40) HTR2CTDP1KDM1AMAOAMAOB
SCHEMBL6782320 0.87 HTR2C (0.40) HTR2CTDP1KDM1AMAOAMAOB
SCHEMBL6785861 0.86 LCK (0.39) HTR1A
SCHEMBL6785859 0.86 LCK (0.39) HTR1A
SCHEMBL6786361 0.86 KDM1A (0.36) MEN1KMT2AHTR2CKDM1AMAOB
SCHEMBL6786365 0.86 KDM1A (0.36) MEN1KMT2AHTR2CKDM1AMAOB
SCHEMBL6791416 0.84 KDM1A (0.38) HTR2CKDM1AMAOBABL1PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US disclosed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US disclosed
US-6586421-B2 For therapy of central nervous system, including diseases, disorders, and conditions related to, such as anxiety, depression, hypertension, migraine, obesity, compulsive disorders, schizophrenia, autism, neurodegenerative disorders PHARMACIA & UPJOHN COMPANY 2003-07-01 US disclosed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP disclosed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US disclosed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 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 (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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR1A 2/4885HTR7 14/4885MEN1 959/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR1A 2/4885HTR7 14/4885MEN1 959/4885

“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.