SCHEMBL4133947

SCHEMBL4133947

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.48
HTR2B P41595 2/20 0.48
KDM1A O60341 2/20 0.43
FPR3 P25089 6/20 0.43
FPR2 P25090 6/20 0.43
NPC1 O15118 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CNR1 P21554 1/20 0.38
DRD2 P14416 1/20 0.38
CACNA1B Q00975 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL4133943 1.00 HTR2C (0.48) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5315451 0.91 HTR2C (0.40) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5316467 0.91 CNR1 (0.45) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL5314514 0.90 BCL2 (0.44) HTR2CHTR2BKDM1AFPR3FPR2
SCHEMBL13742060 0.86 HTR2C (0.53) HTR2CHTR2BKDM1AMAOBCNR1
SCHEMBL5314571 0.86 HTR2C (0.50) HTR2CHTR2BNPC1RAB9ASMN1; SMN2
SCHEMBL4126434 0.85 HTR2A (0.51) HTR2CHTR2BKDM1AMAOBSLC6A4
SCHEMBL4126436 0.85 HTR2A (0.51) HTR2CHTR2BKDM1AMAOBSLC6A4
SCHEMBL4126563 0.84 SLC6A3 (0.44) HTR2CHTR2BKDM1AMAOBMAOA
SCHEMBL4133949 0.84 CNR1 (0.49) HTR2CHTR2BKDM1ASMN1; SMN2MAOB

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 HTR2C 1/4885HTR2B 4/4885KDM1A 3105/4885

“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.