SCHEMBL6787072

SCHEMBL6787072

CC(=O)c1cccc(-c2cccc3c2C2CCNCCC2N3)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.46
CHEK1 O14757 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
BRD4 O60885 5/20 0.38
CREBBP Q92793 5/20 0.38
CHRM1 P11229 4/20 0.37
TDP2 O95551 1/20 0.37
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
PDE4D Q08499 1/20 0.35
BRD2 P25440 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 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
SCHEMBL6787068 1.00 FYN (0.46) FYNCHEK1PARP10PARP11BRD4
SCHEMBL6784586 0.88 SLC6A2 (0.36) FYNCHEK1BRD4CREBBPCHRM1
SCHEMBL6784584 0.88 SLC6A2 (0.36) FYNCHEK1BRD4CREBBPCHRM1
SCHEMBL6790502 0.82 HTR2C (0.41) CHRM1CHRM3
SCHEMBL6790499 0.82 HTR2C (0.41) CHRM1CHRM3
SCHEMBL6790774 0.81 BRD4 (0.40) BRD4CREBBPCHRM1CHRM3SLC6A2
SCHEMBL6790777 0.81 BRD4 (0.40) BRD4CREBBPCHRM1CHRM3SLC6A2
SCHEMBL6782255 0.80 PLAT (0.39) CHRM1CHRM3SLC6A2SLC6A4
SCHEMBL6782257 0.80 PLAT (0.39) CHRM1CHRM3SLC6A2SLC6A4
Fumaric Acid SCHEMBL6782504 0.79 HRH1 (0.39) CHRM1CHRM3SLC6A2SLC6A4

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 5 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
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 (1 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 FYN 1257/4885CHEK1 4335/4885PARP10 1744/4885

“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.