SCHEMBL4126563

SCHEMBL4126563

CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.44
HTR2C P28335 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
RIPK1 Q13546 2/20 0.41
KDM1A O60341 5/20 0.41
MAOB P27338 3/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAOA P21397 1/20 0.39
GRM2 Q14416 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 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
SCHEMBL4126559 1.00 SLC6A3 (0.44) SLC6A3HTR2CSLC6A4SLC6A2HTR2A
SCHEMBL5315451 0.94 HTR2C (0.40) SLC6A3HTR2CSLC6A4SLC6A2HTR2A
SCHEMBL4127041 0.89 HTR2C (0.56) HTR2CHTR2AHTR2BRIPK1GRM2
SCHEMBL4127039 0.89 HTR2C (0.56) HTR2CHTR2AHTR2BRIPK1GRM2
SCHEMBL4126477 0.88 HTR2C (0.48) HTR2CKDM1AMAOBMAOAPOLB
SCHEMBL4126474 0.88 HTR2C (0.48) HTR2CKDM1AMAOBMAOAPOLB
SCHEMBL4133946 0.88 CNR1 (0.49) SLC6A3HTR2CSLC6A4HTR2AHTR2B
SCHEMBL4133949 0.88 CNR1 (0.49) SLC6A3HTR2CSLC6A4HTR2AHTR2B
SCHEMBL4126115 0.87 CYP17A1 (0.46) KDM1AMAOBMAOA
SCHEMBL4126113 0.87 CYP17A1 (0.46) KDM1AMAOBMAOA

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 SLC6A3 181/4885HTR2C 1/4885SLC6A4 55/4885

“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.