SCHEMBL4134674

SCHEMBL4134674

CC(C)(C)OC(=O)NCC1CC1c1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
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
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
ACACB O00763 3/20 0.40
MTNR1B P49286 6/20 0.40
MTNR1A P48039 5/20 0.40
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ACACA Q13085 2/20 0.39

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
SCHEMBL4134676 1.00 HTR2C (0.50) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL5343070 0.89 HTR2C (0.48) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL5312992 0.88 HTR2C (0.39) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL5313624 0.87 HTR2C (0.39) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL17985446 0.86 HTR2A (0.50) HTR2CHTR2BHTR2ADRD2ACACB
SCHEMBL4126397 0.85 DRD2 (0.41) HTR2CHTR2BHTR2ADRD2ACACB
SCHEMBL4126395 0.85 DRD2 (0.41) HTR2CHTR2BHTR2ADRD2ACACB
SCHEMBL13742044 0.84 ACACB (0.43) DRD2ACACBMTNR1BMTNR1AACACA
SCHEMBL13742538 0.84 MTNR1B (0.41) SLC6A4MEN1KMT2ADRD2ACACB
SCHEMBL13742060 0.82 HTR2C (0.53) HTR2CHTR2BHTR2ADRD2ACACB

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 3 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
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 4/4885SLC6A2 118/4885

“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.