SCHEMBL5381346

SCHEMBL5381346

OC1=COC(c2ccccc2Br)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.36
HTR2B P41595 4/20 0.36
KDM1A O60341 2/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2A P28223 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC4 P56524 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DRD1 P21728 2/20 0.31
DRD5 P21918 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1171846 0.78 HTR2C (0.40) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL6542656 0.75 HTR2C (0.32) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL1125507 0.74 HTR2C (0.33) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL19780715 0.71 HTR2C (0.45) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL7916402 0.70 HTR2A (0.44) HTR2CHTR2BSLC6A2HTR2ASLC6A4
SCHEMBL1914332 0.68 HTR2C (0.36) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL11632118 0.68 HTR2C (0.41) HTR2CHTR2BKDM1ASLC6A2HTR2A
SCHEMBL1172182 0.66 MEN1 (0.41) HDAC4NPC1RAB9AMEN1KMT2A
SCHEMBL5717521 0.66 LMNA (0.46) KMT2A
SCHEMBL29571908 0.66 HTR2C (0.46) HTR2CHTR2BKDM1ASLC6A2HTR2A

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 US 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 HTR2C 3740/4885HTR2B 3209/4885KDM1A 2838/4885

“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.