SCHEMBL12434751

SCHEMBL12434751

Cc1ccc(I)c(CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
AMY1A P0DUB6 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 5/20 0.33
MAPT P10636 4/20 0.33
THRB P10828 2/20 0.33
GPR55 Q9Y2T6 2/20 0.33
PTGS2 P35354 1/20 0.32
POLB P06746 3/20 0.32
TDP1 Q9NUW8 4/20 0.31
TRPA1 O75762 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 2/20 0.31
GSK3B P49841 1/20 0.30
LMNA P02545 1/20 0.30
CHRM1 P11229 1/20 0.30

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
SCHEMBL8059930 0.79 MAPT (0.39) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL233314 0.78 TAAR1 (0.41) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL21768182 0.77 NPSR1 (0.43) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL30574669 0.77 TAAR1 (0.38) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL6036585 0.77 AMY1A (0.39) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL26586480 0.77 TAAR1 (0.38) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL1050239 0.76 TAAR1 (0.56) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL30087221 0.74 CYP2A6 (0.32) CYP1A2CYP2A6ALDH1A1TDP1CYP3A4
SCHEMBL30806439 0.74 TAAR1 (0.39) TAAR1AMY1ACYP1A2CYP2A6ALDH1A1
SCHEMBL2556376 0.74 CYP2A6 (0.32) CYP1A2CYP2A6ALDH1A1TDP1CYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160075724-A1 CETP Inhibitors MERCK SHARP & DOHME (US) 2016-03-17 US disclosed
US-20140221383-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 US disclosed
US-8440702-B2 1,3-oxazolidin -2-one derivatives useful as CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2013-05-14 US disclosed
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-21 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 (3 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-20140221383-A1 CETP INHIBITORS CETP, APOB, MTTP TAAR1 2358/4885AMY1A 2606/4885CYP1A2 545/4885
US-20110178059-A1 1,3-OXAZOLIDIN -2-ONE DERIVATIVES USEFUL AS CETP INHIBITORS CETP, MTTP, APOB TAAR1 3197/4885AMY1A 2903/4885CYP1A2 2013/4885
US-20160075724-A1 CETP Inhibitors CETP, APOB, MTTP TAAR1 2358/4885AMY1A 2606/4885CYP1A2 545/4885

“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.