SCHEMBL4134867

SCHEMBL4134867

NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.59
HRH3 Q9Y5N1 2/20 0.53
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SLC9A1 P19634 5/20 0.48
PARP1 P09874 1/20 0.44
HDAC4 P56524 2/20 0.44
ALDH1A1 P00352 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4134864 1.00 KDM1A (0.59) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4134734 0.85 KDM1A (0.56) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL29302375 0.85 KDM1A (0.56) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL6902985 0.85 KDM1A (0.56) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL4134736 0.85 KDM1A (0.56) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL25606213 0.83 KDM1A (0.54) KDM1AHRH3HTR2AHTR2CHTR2B
SCHEMBL24737867 0.80 SLC9A1 (0.71) HTR2AHTR2CHTR2BSLC9A1PARP1
SCHEMBL15542072 0.80 SLC9A1 (0.71) HTR2AHTR2CHTR2BSLC9A1PARP1
SCHEMBL24737580 0.80 SLC9A1 (0.71) HTR2AHTR2CHTR2BSLC9A1PARP1
SCHEMBL15540612 0.80 SLC9A1 (0.71) HTR2AHTR2CHTR2BSLC9A1PARP1

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 3105/4885HRH3 436/4885HTR2A 2/4885

“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.