SCHEMBL4133967

SCHEMBL4133967

NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.53
MAOB P27338 3/20 0.53
KCNH2 Q12809 2/20 0.53
RCOR1 Q9UKL0 2/20 0.53
KDM1B Q8NB78 1/20 0.53
HRH3 Q9Y5N1 2/20 0.49
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
SLC9A1 P19634 4/20 0.46
MAOA P21397 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HDAC4 P56524 1/20 0.44
TLR2 O60603 1/20 0.41
TLR1 Q15399 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL775461 1.00 KDM1A (0.53) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL4133964 1.00 KDM1A (0.53) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL806142 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL21501045 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL455245 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL24890441 0.82 KDM1A (0.50) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL437376 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL799467 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL455246 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B
SCHEMBL4719284 0.82 FFAR1 (0.59) KDM1AMAOBKCNH2RCOR1KDM1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-13 US disclosed
WO-2007025144-A1 5-HT2C RECEPTOR AGONISTS AS ANORECTIC AGENTS UNIVERSITY OF ILLINOIS - CHICAGO (US) 2007-03-01 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-20090203750-A1 5-HT2C Receptor Agonists as Anorectic Agents HTR2C, HTR2A, HTR5A KDM1A 3105/4885MAOB 575/4885KCNH2 944/4885

“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.