SCHEMBL1848100

SCHEMBL1848100

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
PAK1 Q13153 1/20 0.43
EPHX2 P34913 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL27833498 0.81 RAB9A (0.49) CYP3A4ALDH1A1NPC1RAB9ANOS3
SCHEMBL1844533 0.80 EPHX2 (0.58) ALDH1A1EPHX2MAPTNPC1RAB9A
SCHEMBL12661738 0.79 ALDH1A1 (0.44) ALDH1A1HPGDPAK1EPHX2NPSR1
SCHEMBL28791583 0.78 MEN1 (0.48) RAB9ANOS3NOS1NOS2MEN1
SCHEMBL4693278 0.76 MAPT (0.51) ALDH1A1PAK1EPHX2NPSR1MAPT
SCHEMBL5969516 0.75 EPHX2 (0.54) CYP3A4ALDH1A1EPHX2NPSR1NPC1
SCHEMBL20141057 0.75 ALDH1A1 (0.41) ALDH1A1HPGDEPHX2NPSR1USP2
SCHEMBL16795443 0.74 ROCK2 (0.44) CYP3A4HPGDNPSR1USP2MAPT
SCHEMBL25291355 0.73 CCNK (0.39) ALDH1A1HPGDNPSR1USP2MAPT
SCHEMBL25232523 0.73 KMT2A (0.47) ALDH1A1PAK1NPSR1MAPTMEN1

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 4 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-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 CYP3A4 585/4885CYP2D6 936/4885ALDH1A1 2669/4885

“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.