SCHEMBL6785169

SCHEMBL6785169

Cc1cc(-c2cccc3c2[C@@H]2CCNCC[C@@H]2N3)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.36
BRD4 O60885 4/20 0.36
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTR7 P34969 1/20 0.33
DAPK3 O43293 1/20 0.33
NTRK1 P04629 1/20 0.33
PIM1 P11309 1/20 0.33
FLT3 P36888 1/20 0.33
GSK3B P49841 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CHRM1 P11229 3/20 0.32

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
SCHEMBL7195591 1.00 CREBBP (0.36) CREBBPBRD4RENCYP3A4KCNH2
SCHEMBL6786809 0.89 HTR7 (0.43) CREBBPBRD4HTR7CHRM1
SCHEMBL6785250 0.89 CREBBP (0.42) CREBBPBRD4RENCYP3A4KCNH2
SCHEMBL6785254 0.89 CREBBP (0.42) CREBBPBRD4RENCYP3A4KCNH2
SCHEMBL6786805 0.89 HTR7 (0.43) CREBBPBRD4HTR7CHRM1
SCHEMBL6787066 0.86 CHRM1 (0.45) CREBBPBRD4RENCYP3A4KCNH2
SCHEMBL6787063 0.86 CHRM1 (0.45) CREBBPBRD4RENCYP3A4KCNH2
SCHEMBL6782257 0.83 PLAT (0.39) HTR7CHRM1
SCHEMBL6782255 0.83 PLAT (0.39) HTR7CHRM1
SCHEMBL6790499 0.83 HTR2C (0.41) HTR7CHRM1

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 CREBBP 3464/4885BRD4 1644/4885REN 803/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 CREBBP 3464/4885BRD4 1644/4885REN 803/4885

“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.