SCHEMBL1844533

SCHEMBL1844533

Cc1cc(C)c(NC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
MAPK1 P28482 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX1 P07099 1/20 0.51
KMT2A Q03164 2/20 0.50
GPR119 Q8TDV5 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
PTPN6 P29350 1/20 0.47
JAK1 P23458 1/20 0.47
SYK P43405 1/20 0.46
NSD2 O96028 1/20 0.46

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
SCHEMBL68396 0.84 EPHX2 (0.59) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL20135051 0.82 ALDH1A1 (0.52) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL70061 0.81 ALDH1A1 (0.57) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL12661738 0.81 ALDH1A1 (0.44) EPHX2ALDH1A1MAPTHTTGPR119
SCHEMBL28848213 0.81 ALDH1A1 (0.51) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL1848100 0.80 CYP3A4 (0.43) EPHX2ALDH1A1MAPTNPC1HTT
SCHEMBL23513755 0.80 ALDH1A1 (0.59) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL4115820 0.80 ALDH1A1 (0.77) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL13065234 0.80 ALDH1A1 (0.61) EPHX2ALDH1A1MAPTNPC1MAPK1
SCHEMBL22605914 0.79 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MAPK1HTT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2325183-A1 4-(2-Furoyl) Aminopiperidine compound useful as therapeutic agent for itching Kyorin Pharmaceutical Co., Ltd. (JP) 2011-05-25 EP disclosed
US-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed
US-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed
US-7601843-B2 4-(2-furoyl)aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD (JP) 2009-10-13 US disclosed
US-20060270632-A1 4-(2-Furoyl) aminopiperidine compound useful as therapeutic agent for itching KYORIN PHARMACEUTICAL CO., LTD NISSHIN SEIFUN GROUP INC. 2006-11-30 US disclosed
EP-1621538-A1 4-(2-FUROYL)AMINOPIPERIDINE COMPOUND USEFUL AS THERAPEUTIC AGENT FOR ITCHING Kyorin Pharmaceutical Co., Ltd. (JP) 2006-02-01 EP 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 (1 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-20060270632-A1 4-(2-Furoyl) aminopiperidine compound useful as therapeutic agent for itching HRH4, HRH3, HRH2 EPHX2 1609/4885ALDH1A1 2669/4885MAPT 4515/4885

“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.