SCHEMBL4131941

SCHEMBL4131941

CC(C)(C)OC(=O)NCC1CC1c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CHRM3 P20309 1/20 0.39
GAA P10253 1/20 0.39
APOB P04114 4/20 0.39
MTTP P55157 4/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TACR1 P25103 1/20 0.38
MTNR1B P49286 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
BACE1 P56817 1/20 0.37
ACACB O00763 2/20 0.37
ACACA Q13085 2/20 0.37
MDM2 Q00987 1/20 0.37
DRD2 P14416 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4131945 1.00 HTR2C (0.41) HTR2CCYP11B1CYP11B2CHRM3GAA
SCHEMBL5313624 0.94 HTR2C (0.39) HTR2CCYP11B1CYP11B2CHRM3GAA
SCHEMBL4131900 0.89 HTR2C (0.54) HTR2CCHRM3MTNR1BSLC6A4ACACB
SCHEMBL4131902 0.89 HTR2C (0.54) HTR2CCHRM3MTNR1BSLC6A4ACACB
SCHEMBL4128706 0.88 CNR1 (0.42) HTR2CGAAMTNR1BSLC6A4ACACB
SCHEMBL4128708 0.88 CNR1 (0.42) HTR2CGAAMTNR1BSLC6A4ACACB
SCHEMBL4126477 0.84 HTR2C (0.48) HTR2CGAAMAOAMAOBTACR1
SCHEMBL4126474 0.84 HTR2C (0.48) HTR2CGAAMAOAMAOBTACR1
SCHEMBL5343070 0.84 HTR2C (0.48) HTR2CMTNR1BSLC6A2SLC6A4ACACB
SCHEMBL5312992 0.83 HTR2C (0.39) HTR2CGAAMTNR1BSLC6A2SLC6A4

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 1/4885CYP11B1 1628/4885CYP11B2 949/4885

“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.