SCHEMBL23387307

SCHEMBL23387307

O=C(O)N[C@@H]1CCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ LCAT P04180 2/20 0.42
▸ ACKR3 P25106 2/20 0.39
▸ CCNC P24863 2/20 0.38
▸ CDK8 P49336 2/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CA12 O43570 6/20 0.38
▸ CA1 P00915 6/20 0.38
▸ CA2 P00918 6/20 0.38
▸ CA4 P22748 6/20 0.38
▸ CA7 P43166 6/20 0.38
▸ CA9 Q16790 6/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ CXCR3 P49682 2/20 0.37

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
SCHEMBL23387361 1.00 CTSB (0.43) CTSBCTSSCTSKKCNH2LCAT
SCHEMBL23387302 0.88 LMNA (0.48) CTSBCTSSCTSKKCNH2ACKR3
SCHEMBL23387304 0.88 LMNA (0.48) CTSBCTSSCTSKKCNH2ACKR3
SCHEMBL22499913 0.84 CTSK (0.45) CTSKTRPV1
SCHEMBL22499981 0.80 GLS (0.41) CTSBCTSSCTSKKCNH2LCAT
SCHEMBL22499982 0.80 GLS (0.41) CTSBCTSSCTSKKCNH2LCAT
SCHEMBL22499843 0.79 OGA (0.41) KCNH2L3MBTL1TRPV1
SCHEMBL22499842 0.79 OGA (0.41) KCNH2L3MBTL1TRPV1
SCHEMBL23387191 0.76 CA12 (0.44) CCNCCDK8CA12CA1CA2
SCHEMBL23387187 0.76 CA12 (0.44) CCNCCDK8CA12CA1CA2

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
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US disclosed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 — — EP disclosed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — 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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CTSB 707/4885CTSS 1032/4885CTSK 823/4885

“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.

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