SCHEMBL1844643

SCHEMBL1844643

CCC1(CCN2CCC(Nc3ccc(C)cn3)CC2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.43
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
CCNK O75909 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
TDO2 P48775 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NOS2 P35228 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
KDM1A O60341 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
PDE10A Q9Y233 1/20 0.35
POLB P06746 1/20 0.35
GRIN2B Q13224 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4692641 0.89 CCR6 (0.41) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4687972 0.87 CCR6 (0.42) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4687121 0.86 CCR6 (0.41) CCR6FPR3FPR2CCNKCDK12
SCHEMBL13980741 0.86 CCR6 (0.46) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4690408 0.86 CCR6 (0.43) CCR6FPR3FPR2CCNKCDK12
SCHEMBL13980739 0.85 CCR6 (0.47) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4690523 0.85 CCR6 (0.45) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4693364 0.84 CCR6 (0.44) CCR6FPR3FPR2CCNKCDK12
SCHEMBL13980613 0.83 CCR6 (0.44) CCR6FPR3FPR2CCNKCDK12
SCHEMBL4693240 0.83 NOS2 (0.40) CCR6FPR3FPR2CCNKCDK12

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 CCR6 1517/4885FPR3 309/4885FPR2 197/4885

“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.