SCHEMBL2178311

SCHEMBL2178311

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
MCHR1 Q99705 2/20 0.42
CYP2D6 P10635 1/20 0.42
CTSK P43235 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CHRM4 P08173 1/20 0.39
MAPT P10636 1/20 0.39
DUSP3 P51452 1/20 0.39
PTPN5 P54829 1/20 0.39
PTPN11 Q06124 1/20 0.39
MC4R P32245 1/20 0.38
CCR5 P51681 1/20 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
SCHEMBL2178306 1.00 DRD4 (0.45) DRD4MCHR1CYP2D6CTSKLMNA
SCHEMBL2178302 1.00 DRD4 (0.45) DRD4MCHR1CYP2D6CTSKLMNA
SCHEMBL2178355 0.91 DRD4 (0.43) DRD4MCHR1CYP2D6CTSKLMNA
SCHEMBL2178357 0.91 DRD4 (0.43) DRD4MCHR1CYP2D6CTSKLMNA
SCHEMBL2178353 0.91 DRD4 (0.43) DRD4MCHR1CYP2D6CTSKLMNA
SCHEMBL2179078 0.89 CTSK (0.43) DRD4CYP2D6CTSKLMNASMN1; SMN2
SCHEMBL2179080 0.89 CTSK (0.43) DRD4CYP2D6CTSKLMNASMN1; SMN2
SCHEMBL2179372 0.89 DRD4 (0.42) DRD4CYP2D6CTSKCHRM4CCR5
SCHEMBL2179084 0.89 CTSK (0.43) DRD4CYP2D6CTSKLMNASMN1; SMN2
SCHEMBL2179376 0.89 DRD4 (0.42) DRD4CYP2D6CTSKCHRM4CCR5

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 36/4885MCHR1 2229/4885CYP2D6 192/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 DRD4 79/4885MCHR1 3818/4885CYP2D6 246/4885

“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.