SCHEMBL2178560

SCHEMBL2178560

CCC(c1ccccc1)N1CC[C@H](NC(=O)OC)[C@@H](O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
CTSK P43235 1/20 0.39
CCR5 P51681 2/20 0.39
HSD11B1 P28845 1/20 0.38
BRD4 O60885 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2178563 1.00 MCHR1 (0.40) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2178565 1.00 MCHR1 (0.40) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180563 0.91 KDM4E (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180562 0.91 KDM4E (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180567 0.91 KDM4E (0.42) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180550 0.90 CHRNB2 (0.40) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180547 0.90 CHRNB2 (0.40) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2180546 0.90 CHRNB2 (0.40) MCHR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL2179495 0.89 CCR5 (0.42) MCHR1CTSKCCR5KMT2A
SCHEMBL2179503 0.89 CCR5 (0.42) MCHR1CTSKCCR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351738-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO)PIPERIDIN-3-OL Sumitomo Chemical Company, Limited (JP) 2011-08-03 EP disclosed
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-14 US disclosed
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 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 (2 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-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL RPS27L, OSGEP, RPLP1 MCHR1 2229/4885OPRM1 29/4885OPRD1 40/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 MCHR1 3818/4885OPRM1 134/4885OPRD1 83/4885

“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.