SCHEMBL17686018

SCHEMBL17686018

CC(C)(C)N(C(=O)O)C(CF)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRL1 P41146 1/20 0.38
ACP3 P15309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2B6 P20813 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
RIPK1 Q13546 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
AOC3 Q16853 1/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
ITGA5 P08648 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35

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
SCHEMBL382057 0.89 ACP3 (0.43) MEN1KMT2AOPRM1OPRL1ACP3
SCHEMBL16504760 0.88 MEN1 (0.41) MEN1KMT2AOPRM1OPRL1ACP3
SCHEMBL14691106 0.85 MEN1 (0.39) MEN1KMT2AOPRM1OPRL1ACP3
SCHEMBL21848090 0.85 TRPM8 (0.39) MEN1KMT2AOPRM1ACP3ALDH1A1
SCHEMBL21848053 0.83 CTSB (0.39) MEN1KMT2AOPRM1ACP3ALDH1A1
SCHEMBL15169777 0.77 OPRL1 (0.43) MEN1KMT2AOPRM1OPRL1
SCHEMBL19244875 0.77 PGK1 (0.35) OPRM1OPRL1RIPK1
SCHEMBL16504482 0.76 ACP3 (0.38) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL16504481 0.76 ACP3 (0.38) MEN1KMT2AACP3ALDH1A1HPGD
SCHEMBL15229301 0.75 OPRK1 (0.41) OPRM1OPRK1SLC6A3LMNATSHR

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
EP-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 EP disclosed
US-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-04-21 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 (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-20160108039-A1 TRIAZOLOPYRIDINES AS THROMBIN INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISEASES PLAT, TFPI, SERPINC1 MEN1 1439/4885KMT2A 3086/4885OPRM1 4676/4885

“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.