SCHEMBL4127039

SCHEMBL4127039

CC(C)(C)OC(=O)NCC1CC1c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
ACACB O00763 3/20 0.39
ACACA Q13085 2/20 0.39
MGLL Q99685 2/20 0.39
F2R P25116 1/20 0.39
HSD17B2 P37059 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC1 Q13547 2/20 0.38
GRM2 Q14416 1/20 0.38
HDAC2 Q92769 1/20 0.37
NPY5R Q15761 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
RORC P51449 1/20 0.37
DRD2 P14416 1/20 0.37
RIPK1 Q13546 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
SCHEMBL4127041 1.00 HTR2C (0.56) HTR2CACACBACACAMGLLF2R
SCHEMBL5315320 0.94 HTR2C (0.50) HTR2CACACBACACAMGLLF2R
SCHEMBL4138978 0.90 HTR2C (0.43) HTR2CACACBACACAMGLLHTR2A
SCHEMBL4138979 0.90 HTR2C (0.43) HTR2CACACBACACAMGLLHTR2A
SCHEMBL4129089 0.89 HTR2C (0.56) HTR2CACACBACACAHTR2AHTR2B
SCHEMBL4129091 0.89 HTR2C (0.56) HTR2CACACBACACAHTR2AHTR2B
SCHEMBL4126563 0.89 SLC6A3 (0.44) HTR2CHTR2AHTR2BGRM2CTSS
SCHEMBL4126559 0.89 SLC6A3 (0.44) HTR2CHTR2AHTR2BGRM2CTSS
SCHEMBL4126442 0.87 CTSS (0.41) HTR2CACACBACACAF2RHDAC1
SCHEMBL4126445 0.87 CTSS (0.41) HTR2CACACBACACAF2RHDAC1

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 1/4885ACACB 1998/4885ACACA 2785/4885

“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.