SCHEMBL23387170

SCHEMBL23387170

O=C(Cc1ccc(C2CC2)cc1)N[C@H]1CN(c2cncc(C(F)(F)F)c2)C[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.42
▸ ACACB O00763 1/20 0.40
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ CRACR2A Q9BSW2 1/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ RIPK2 O43353 1/20 0.35
▸ LCAT P04180 1/20 0.35

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
SCHEMBL23387172 0.91 ACACB (0.40) CCR2ACACBCACNA1GCACNA1HCACNA1I
SCHEMBL21624719 0.84 SIGMAR1 (0.45) CCR2ACACBCACNA1GCACNA1HCACNA1I
SCHEMBL21624716 0.84 SIGMAR1 (0.45) CCR2ACACBCACNA1GCACNA1HCACNA1I
SCHEMBL21625641 0.82 CCR2 (0.44) CCR2CACNA1GCACNA1HCACNA1IKCNH2
SCHEMBL21625640 0.82 CCR2 (0.44) CCR2CACNA1GCACNA1HCACNA1IKCNH2
SCHEMBL23387156 0.81 CACNA1G (0.38) CCR2ACACBCACNA1GCACNA1HCACNA1I
SCHEMBL23387160 0.81 CACNA1G (0.38) CCR2ACACBCACNA1GCACNA1HCACNA1I
SCHEMBL23387268 0.79 ACACB (0.45) CCR2ACACBRIPK2LCAT
SCHEMBL21624687 0.79 SIGMAR1 (0.48) ACACBCYP3A4CYP2D6CYP2C9AOC3
SCHEMBL23387289 0.78 TACR1 (0.37) CCR2ACACBCACNA1GCACNA1HCACNA1I

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
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — US claimed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP claimed
US-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER NIPPON CHEMIPHAR CO., LTD. (JP) 2022-11-17 — — US disclosed
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 (2 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-20220363667-A1 T-TYPE CALCIUM CHANNEL BLOCKER CACNA1I, CACNA1G, CACNA1H CCR2 2397/4885ACACB 3546/4885CACNA1G 2/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCR2 2218/4885ACACB 3157/4885CACNA1G 2/4885

“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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