SCHEMBL4138468

SCHEMBL4138468

NC(=O)C1CC1c1ccccc1Br

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.55
▸ HTR2C P28335 4/20 0.50
▸ HTR2B P41595 4/20 0.50
▸ SLC6A2 P23975 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ SLC6A4 P31645 2/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ SLC9A1 P19634 3/20 0.45
▸ BACE1 P56817 4/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ ATM Q13315 1/20 0.37

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
SCHEMBL4138471 1.00 KDM1A (0.55) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL4126357 0.84 KDM1A (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL30681455 0.84 KDM1A (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL13742600 0.84 KDM1A (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL3476313 0.84 KDM1A (0.52) KDM1AHTR2CHTR2BSLC6A2HTR2A
SCHEMBL4139370 0.79 KDM1A (0.56) KDM1AHTR2CHTR2BSLC9A1ALDH1A1
SCHEMBL15541112 0.79 KDM1A (0.56) KDM1AHTR2CHTR2BSLC9A1ALDH1A1
SCHEMBL15541070 0.79 SLC9A1 (0.69) HTR2CHTR2BSLC6A2HTR2ASLC6A3
SCHEMBL4139367 0.79 KDM1A (0.56) KDM1AHTR2CHTR2BSLC9A1ALDH1A1
SCHEMBL15541759 0.79 KDM1A (0.56) KDM1AHTR2CHTR2BSLC9A1ALDH1A1

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 3105/4885HTR2C 1/4885HTR2B 4/4885

“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.

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