SCHEMBL6790502

SCHEMBL6790502

Cc1cccc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
NISCH Q9Y2I1 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR7 P34969 3/20 0.34
KDM1A O60341 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 1/20 0.34
HTR1A P08908 1/20 0.33

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
SCHEMBL6790499 1.00 HTR2C (0.41) HTR2CGABRA1GABRB2NISCHADRA2A
SCHEMBL6786256 0.91 BRD4 (0.41) HTR2CGABRA1GABRB2LMNATSHR
SCHEMBL6786259 0.91 BRD4 (0.41) HTR2CGABRA1GABRB2LMNATSHR
SCHEMBL6786361 0.87 KDM1A (0.36) HTR2CGABRA1GABRB2ADRA2AADRA2B
SCHEMBL6786365 0.87 KDM1A (0.36) HTR2CGABRA1GABRB2ADRA2AADRA2B
SCHEMBL6786805 0.86 HTR7 (0.43) HTR2CHTR7LMNATSHRCHRM1
SCHEMBL6786809 0.86 HTR7 (0.43) HTR2CHTR7LMNATSHRCHRM1
SCHEMBL6790777 0.86 BRD4 (0.40) GABRA1GABRB2HTR7LMNATSHR
SCHEMBL6790774 0.86 BRD4 (0.40) GABRA1GABRB2HTR7LMNATSHR
SCHEMBL6782255 0.85 PLAT (0.39) NISCHADRA2AADRA2BADRA2CHTR7

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 4 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
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 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-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885GABRA1 571/4885GABRB2 996/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR2C 6/4885GABRA1 571/4885GABRB2 996/4885

“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.