SCHEMBL6786361

SCHEMBL6786361

Cc1ccc(-c2cccc3c2C2CCNCCC2N3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTR2C P28335 3/20 0.34
PLAT P00750 1/20 0.33
HRH1 P35367 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
OPRD1 P41143 1/20 0.32
KCNH2 Q12809 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
EP300 Q09472 1/20 0.31
MAOB P27338 1/20 0.31
AKT1 P31749 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL6786365 1.00 KDM1A (0.36) KDM1ALMNATSHRHTR2CPLAT
SCHEMBL6786256 0.88 BRD4 (0.41) LMNATSHRHTR2CGABRA1GABRB2
SCHEMBL6786259 0.88 BRD4 (0.41) LMNATSHRHTR2CGABRA1GABRB2
SCHEMBL6791321 0.88 HRH1 (0.42) LMNATSHRHTR2CHRH1CYP2D6
SCHEMBL6791319 0.88 HRH1 (0.42) LMNATSHRHTR2CHRH1CYP2D6
SCHEMBL6790502 0.87 HTR2C (0.41) KDM1ALMNATSHRHTR2CGABRA1
SCHEMBL6790499 0.87 HTR2C (0.41) KDM1ALMNATSHRHTR2CGABRA1
SCHEMBL6785602 0.86 HTR7 (0.40) LMNATSHRHTR2CPLATHRH1
SCHEMBL6785604 0.86 HTR7 (0.40) LMNATSHRHTR2CPLATHRH1
SCHEMBL6787487 0.86 EP300 (0.40) KDM1ALMNATSHRHRH1CYP2D6

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 KDM1A 1930/4885LMNA 4136/4885TSHR 134/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 KDM1A 1930/4885LMNA 4136/4885TSHR 134/4885

“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.