SCHEMBL3828309

SCHEMBL3828309

CN(C(=O)O)[C@H]1C[C@H](OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.44
FFAR1 O14842 1/20 0.42
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
AGTR2 P50052 2/20 0.41
EPHX2 P34913 2/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BDKRB2 P30411 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL3834261 1.00 OPRM1 (0.47) OPRM1OPRL1TRPM8FFAR1ALOX5
SCHEMBL3828306 1.00 OPRM1 (0.47) OPRM1OPRL1TRPM8FFAR1ALOX5
SCHEMBL22906968 0.84 OPRM1 (0.49) OPRM1OPRL1ALDH1A1CTSLCTSB
SCHEMBL15334888 0.84 OPRM1 (0.49) OPRM1OPRL1ALDH1A1CTSLCTSB
SCHEMBL13567987 0.84 L3MBTL1 (0.43) OPRM1OPRL1TRPM8FFAR1SIGMAR1
SCHEMBL13567992 0.84 L3MBTL1 (0.43) OPRM1OPRL1TRPM8FFAR1SIGMAR1
SCHEMBL19462502 0.79 OPRM1 (0.47) OPRM1OPRL1TRPM8FFAR1ALDH1A1
SCHEMBL1612308 0.78 TRPM8 (0.50) OPRM1OPRL1TRPM8ALDH1A1
SCHEMBL23908085 0.76 MGLL (0.53) OPRM1ALDH1A1
SCHEMBL12017809 0.76 ALDH1A1 (0.49) OPRM1OPRL1FFAR1ALDH1A1CTSL

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-20090312310-A1 Imidazothiazole derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-17 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP 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-20090312310-A1 Imidazothiazole derivatives TP53, MDM2, TP53BP1 OPRM1 4283/4885OPRL1 4394/4885TRPM8 3500/4885

“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.