SCHEMBL6786805

SCHEMBL6786805

Cc1ccc(-c2cccc3c2C2CCNCCC2N3)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.43
BRD4 O60885 3/20 0.43
CREBBP Q92793 3/20 0.43
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 4/20 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
SCHEMBL6786809 1.00 HTR7 (0.43) HTR7BRD4CREBBPCHRM2CHRM4
SCHEMBL6785169 0.89 CREBBP (0.36) HTR7BRD4CREBBPCHRM1
SCHEMBL7195591 0.89 CREBBP (0.36) HTR7BRD4CREBBPCHRM1
SCHEMBL6790499 0.86 HTR2C (0.41) HTR7CHRM1CHRM3LMNATSHR
SCHEMBL6790502 0.86 HTR2C (0.41) HTR7CHRM1CHRM3LMNATSHR
SCHEMBL6786365 0.86 KDM1A (0.36) LMNATSHRHTR2C
SCHEMBL6786361 0.86 KDM1A (0.36) LMNATSHRHTR2C
SCHEMBL6786256 0.85 BRD4 (0.41) BRD4CREBBPCHRM1LMNATSHR
SCHEMBL6786259 0.85 BRD4 (0.41) BRD4CREBBPCHRM1LMNATSHR
SCHEMBL6785566 0.82 NR1H4 (0.40) HTR7LMNATSHRHTR2C

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 HTR7 14/4885BRD4 1644/4885CREBBP 3464/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 HTR7 14/4885BRD4 1644/4885CREBBP 3464/4885

“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.