SCHEMBL943708

SCHEMBL943708

C[C@@H]1CCN([C@@H](C)c2ccccc2)[C@@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CCR5 P51681 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CHRM2 P08172 3/20 0.40
CHRM4 P08173 3/20 0.40
CHRM5 P08912 3/20 0.40
CHRM1 P11229 3/20 0.40
CHRM3 P20309 3/20 0.40
AGTR2 P50052 3/20 0.40
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL27156366 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL6079535 1.00 KMT2A (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL1075333 0.88 OPRK1 (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL943677 0.88 OPRK1 (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL2703180 0.88 OPRK1 (0.43) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL1022236 0.86 CYP2D6 (0.42) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL1022238 0.86 CYP2D6 (0.42) KMT2ACYP2D6KDM4ECCR5OPRM1
SCHEMBL29819789 0.83 ALDH1A1 (0.50) KMT2AKDM4ECHRM2CHRM1ALDH1A1
SCHEMBL29820127 0.83 ALDH1A1 (0.50) KMT2AKDM4ECHRM2CHRM1ALDH1A1
SCHEMBL12480223 0.81 TSHR (0.44) KMT2ACYP2D6CHRM4ALDH1A1NPC1

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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof RAPT THERAPEUTICS, INC. (US) 2024-03-05 US disclosed
EP-2448935-B1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2015-06-24 EP disclosed
EP-2448935-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS Novartis AG (CH) 2012-05-09 EP disclosed
WO-2011000905-A1 SUBSTITUTED 2-CARBOXAMIDE CYCLOAMINO UREAS NOVARTIS AG (CH) 2011-01-06 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-11918582-B2 Pyrazole pyrimidine compounds and uses thereof DCK, MCL1, DTYMK KMT2A 1676/4885CYP2D6 3645/4885KDM4E 2103/4885

“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.