SCHEMBL2179078

SCHEMBL2179078

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.43
CHRM1 P11229 3/20 0.43
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
DRD4 P21917 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2179080 1.00 CTSK (0.43) CTSKCHRM1CHRM2ALDH1A1KDM4E
SCHEMBL2179084 1.00 CTSK (0.43) CTSKCHRM1CHRM2ALDH1A1KDM4E
SCHEMBL2179573 0.89 CTSK (0.42) CTSKCHRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2179580 0.89 CTSK (0.42) CTSKCHRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2179575 0.89 CTSK (0.42) CTSKCHRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2178311 0.89 DRD4 (0.45) CTSKALDH1A1DRD4SMN1; SMN2LMNA
SCHEMBL2178306 0.89 DRD4 (0.45) CTSKALDH1A1DRD4SMN1; SMN2LMNA
SCHEMBL2178302 0.89 DRD4 (0.45) CTSKALDH1A1DRD4SMN1; SMN2LMNA
SCHEMBL2180567 0.88 KDM4E (0.42) CTSKCHRM1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2180562 0.88 KDM4E (0.42) CTSKCHRM1ALDH1A1KDM4ESMN1; SMN2

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 CTSK 1604/4885CHRM1 20/4885CHRM2 351/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 CTSK 3003/4885CHRM1 858/4885CHRM2 1968/4885

“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.