SCHEMBL2178357

SCHEMBL2178357

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
HTR3A P46098 1/20 0.43
CYP2D6 P10635 1/20 0.40
CTSK P43235 1/20 0.40
HTT P42858 2/20 0.39
MCHR1 Q99705 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DRD2 P14416 1/20 0.38
RET P07949 1/20 0.38
CHRM4 P08173 1/20 0.38
ACKR3 P25106 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
DUSP3 P51452 1/20 0.37

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
SCHEMBL2178355 1.00 DRD4 (0.43) DRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2178353 1.00 DRD4 (0.43) DRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2178306 0.91 DRD4 (0.45) DRD4CYP2D6CTSKHTTMCHR1
SCHEMBL2178311 0.91 DRD4 (0.45) DRD4CYP2D6CTSKHTTMCHR1
SCHEMBL2178302 0.91 DRD4 (0.45) DRD4CYP2D6CTSKHTTMCHR1
SCHEMBL2178078 0.89 CHRNB2 (0.41) DRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2178082 0.89 CHRNB2 (0.41) DRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2178076 0.89 CHRNB2 (0.41) DRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2180550 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2180546 0.87 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 DRD4 36/4885CHRNB2 1763/4885CHRNB4 2011/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 DRD4 79/4885CHRNB2 3989/4885CHRNB4 3326/4885

“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.