SCHEMBL1845862

SCHEMBL1845862

Cc1ccc(NC2CCN(CCC3(CCN4CCOCC4)CCCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 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
SCHEMBL4687937 0.87 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4686684 0.87 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL4687058 0.85 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL4689974 0.84 CA12 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL4688012 0.84 CA12 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL4690037 0.83 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL5113198 0.83 CA12 (0.44) CA12CA1CA2CA4CA5A
SCHEMBL4688105 0.82 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL1844116 0.82 DRD2 (0.47) CA12CA1CA2CA4CA5A
SCHEMBL4692616 0.82 CA12 (0.44) CA12CA1CA2CA4CA5A

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 7 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
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 CA12 4737/4885CA1 4672/4885CA2 2252/4885

“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.