SCHEMBL4126434

SCHEMBL4126434

CC(C)(C)OC(=O)NCC1CC1c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
HTR2B P41595 3/20 0.51
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KDM1A O60341 3/20 0.40
ACACB O00763 4/20 0.39
MAOB P27338 1/20 0.39
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38
AURKB Q96GD4 1/20 0.38
ACACA Q13085 3/20 0.38
CNR1 P21554 1/20 0.38
DRD2 P14416 2/20 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
SCHEMBL4126436 1.00 HTR2A (0.51) HTR2AHTR2CHTR2BCTSBCTSS
SCHEMBL5315744 0.90 HTR2C (0.42) HTR2AHTR2CHTR2BCTSBCTSS
SCHEMBL5315275 0.89 HTR2C (0.50) HTR2AHTR2CHTR2BCTSBCTSS
SCHEMBL5315320 0.89 HTR2C (0.50) HTR2AHTR2CHTR2BCTSBCTSS
SCHEMBL5315446 0.87 DRD2 (0.40) HTR2AHTR2CHTR2BCTSBCTSS
SCHEMBL4128683 0.86 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL4128684 0.86 HTR2C (0.40) HTR2AHTR2CHTR2BSLC6A4SLC6A3
SCHEMBL4133947 0.85 HTR2C (0.48) HTR2CHTR2BCTSSCTSKSLC6A4
SCHEMBL4133943 0.85 HTR2C (0.48) HTR2CHTR2BCTSSCTSKSLC6A4
SCHEMBL13742060 0.85 HTR2C (0.53) HTR2AHTR2CHTR2BKDM1AACACB

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 HTR2A 2/4885HTR2C 1/4885HTR2B 4/4885

“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.