SCHEMBL2179644

SCHEMBL2179644

CC(c1ccccc1)N1CC[C@H](N)[C@@H](O)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
MC4R P32245 1/20 0.46
DPP4 P27487 1/20 0.45
OPRM1 P35372 3/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRD1 P41143 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
DRD4 P21917 1/20 0.41
KMT2A Q03164 1/20 0.40
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2179654 1.00 CYP2D6 (0.51) CYP2D6MC4RDPP4OPRM1OPRK1
SCHEMBL2179651 1.00 CYP2D6 (0.51) CYP2D6MC4RDPP4OPRM1OPRK1
SCHEMBL2177042 0.85 DPP4 (0.43) CYP2D6DPP4ALDH1A1KMT2A
SCHEMBL2177032 0.85 DPP4 (0.43) CYP2D6DPP4ALDH1A1KMT2A
SCHEMBL2177036 0.85 DPP4 (0.43) CYP2D6DPP4ALDH1A1KMT2A
SCHEMBL2180519 0.81 DPP4 (0.48) DPP4OPRM1OPRK1OPRL1OPRD1
SCHEMBL2180514 0.81 DPP4 (0.48) DPP4OPRM1OPRK1OPRL1OPRD1
SCHEMBL2180510 0.81 DPP4 (0.48) DPP4OPRM1OPRK1OPRL1OPRD1
SCHEMBL9137138 0.81 CYP2D6 (0.58) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL5275767 0.81 CYP2D6 (0.58) 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 2037/4885DPP4 4436/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CYP2D6 246/4885MC4R 834/4885DPP4 2071/4885

“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.