SCHEMBL2180563

SCHEMBL2180563

CCOC(=O)NC1CCN(C(CC)c2ccccc2)CC1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MCHR1 Q99705 1/20 0.39
CHRM1 P11229 2/20 0.39
TSHR P16473 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CACNA1A O00555 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNB1 Q02641 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL2180567 1.00 KDM4E (0.42) KDM4EGAACTSKALDH1A1HPGD
SCHEMBL2180562 1.00 KDM4E (0.42) KDM4EGAACTSKALDH1A1HPGD
SCHEMBL2178565 0.91 MCHR1 (0.40) KDM4ECTSKALDH1A1MCHR1OPRM1
SCHEMBL2178560 0.91 MCHR1 (0.40) KDM4ECTSKALDH1A1MCHR1OPRM1
SCHEMBL2178563 0.91 MCHR1 (0.40) KDM4ECTSKALDH1A1MCHR1OPRM1
SCHEMBL2180546 0.88 CHRNB2 (0.40) CTSKMCHR1OPRM1OPRD1OPRK1
SCHEMBL2180547 0.88 CHRNB2 (0.40) CTSKMCHR1OPRM1OPRD1OPRK1
SCHEMBL2180550 0.88 CHRNB2 (0.40) CTSKMCHR1OPRM1OPRD1OPRK1
SCHEMBL2179080 0.88 CTSK (0.43) KDM4ECTSKALDH1A1HPGDSMN1; SMN2
SCHEMBL2179078 0.88 CTSK (0.43) KDM4ECTSKALDH1A1HPGDSMN1; 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 KDM4E 3998/4885GAA 1683/4885CTSK 1604/4885
US-20110172431-A1 PROCESS FOR PRODUCING 1-SUBSTITUTED TRANS-4-(SUBSTITUTED AMINO) PIPERIDIN-3-OL TEAD4, TEAD3, TEAD2 KDM4E 1125/4885GAA 2624/4885CTSK 3003/4885

“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.