SCHEMBL23387271

SCHEMBL23387271

O=C(O)N[C@H]1CCN(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.63
CDK8 P49336 1/20 0.63
CHRM4 P08173 4/20 0.49
CHRM2 P08172 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
CA12 O43570 8/20 0.47
CA1 P00915 8/20 0.47
CA2 P00918 8/20 0.47
CA4 P22748 8/20 0.47
CA7 P43166 8/20 0.47
CA9 Q16790 8/20 0.47
TRPV1 Q8NER1 5/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CYP3A4 P08684 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL23387275 1.00 CCNC (0.63) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL23387323 1.00 CCNC (0.63) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL23387260 0.93 CCNC (0.56) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL23387261 0.93 CCNC (0.56) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL22499834 0.85 CCNC (0.47) CCNCCDK8CHRM4CHRM2CA12
SCHEMBL22499835 0.85 CCNC (0.47) CCNCCDK8CHRM4CHRM2CA12
SCHEMBL22499860 0.84 CCNC (0.57) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL29689849 0.84 CCNC (0.57) CCNCCDK8CHRM4CHRM2HRH3
SCHEMBL23387300 0.83 ACACB (0.51) CCNCCDK8CHRM4CHRM2CA12
SCHEMBL23387299 0.83 ACACB (0.51) CCNCCDK8CHRM4CHRM2CA12

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 CCNC 3247/4885CDK8 2267/4885CHRM4 702/4885

“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.