SCHEMBL13950141

SCHEMBL13950141

C[C@H](C#N)[C@H](O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
KDM4E B2RXH2 3/20 0.54
LMNA P02545 3/20 0.54
ADRA2C P18825 2/20 0.54
ADRA2A P08913 1/20 0.54
HIF1A Q16665 1/20 0.54
ALDH1A1 P00352 3/20 0.52
CHRM2 P08172 1/20 0.50
ADRA1A P35348 1/20 0.50
RGS12 O14924 1/20 0.50
GLA P06280 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR2A P28223 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL13950138 1.00 TSHR (0.56) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL4981519 1.00 TSHR (0.56) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL11439828 0.84 NPY5R (0.47) TSHRALDH1A1
SCHEMBL12121869 0.79 ADRB2 (0.43) TSHRLMNAHIF1AALDH1A1CYP2D6
SCHEMBL27168775 0.77 TRPA1 (0.48) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL8763270 0.77 TRPA1 (0.48) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL19588488 0.77 TRPA1 (0.48) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL8102784 0.76 TSHR (0.58) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL9490612 0.74 DPP4 (0.54) TSHRKDM4ELMNAADRA2CADRA2A
SCHEMBL1548275 0.74 TRPA1 (0.45) TSHRKDM4ELMNAADRA2CADRA2A

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-8865707-B2 Cholesteryl ester transfer protein inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-21 US disclosed
US-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME LLC 2009-01-15 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-20090018054-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, APOB, MTTP TSHR 4007/4885KDM4E 2924/4885LMNA 538/4885

“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.