SCHEMBL2177322

SCHEMBL2177322

CC(c1ccccc1)N1CCC2OC2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
MC4R P32245 1/20 0.49
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
CCR5 P51681 1/20 0.42
OPRD1 P41143 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
DRD4 P21917 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
KAT2B Q92831 2/20 0.38

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
SCHEMBL7234103 0.88 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL11478237 0.88 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7239440 0.88 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7239446 0.88 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7234096 0.88 CYP2D6 (0.59) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2178968 0.84 CYP2D6 (0.40) CYP2D6MC4RALDH1A1CHRNB4CHRNA3
SCHEMBL2177641 0.83 L3MBTL3 (0.50) CYP2D6OPRM1OPRK1OPRL1OPRD1
SCHEMBL2180052 0.80 OPRM1 (0.46) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2177597 0.79 OPRM1 (0.49) MC4ROPRM1OPRK1OPRL1OPRD1
SCHEMBL8925684 0.77 CYP2D6 (0.55) CYP2D6MC4ROPRM1OPRK1OPRL1

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 CYP2D6 192/4885MC4R 2037/4885OPRM1 29/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CYP2D6 246/4885MC4R 834/4885OPRM1 134/4885

“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.