SCHEMBL21625642

SCHEMBL21625642

O=C(Cc1ccc(Br)cc1)N[C@@H]1CCN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.47
▸ SIGMAR1 Q99720 6/20 0.45
▸ RPS6KB1 P23443 2/20 0.42
▸ TRPV1 Q8NER1 2/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ GRIN2B Q13224 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ ME3 Q16798 1/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ ACACB O00763 1/20 0.39
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39

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
SCHEMBL21625643 1.00 CCR2 (0.47) CCR2SIGMAR1RPS6KB1TRPV1TRPM8
SCHEMBL21624755 0.93 SIGMAR1 (0.53) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL21624756 0.93 SIGMAR1 (0.53) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL21624722 0.91 ME3 (0.50) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL21624714 0.91 SIGMAR1 (0.46) CCR2SIGMAR1RPS6KB1AOC3ACACB
SCHEMBL21624710 0.91 SIGMAR1 (0.46) CCR2SIGMAR1RPS6KB1AOC3ACACB
SCHEMBL21624725 0.91 ME3 (0.50) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL22499968 0.90 RPS6KB1 (0.46) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL21625664 0.89 ME3 (0.46) CCR2SIGMAR1RPS6KB1GRIN2BAOC3
SCHEMBL21625663 0.89 ME3 (0.46) CCR2SIGMAR1RPS6KB1GRIN2BAOC3

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 12 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
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US claimed
EP-3950059-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS Nippon Chemiphar Co., Ltd. (JP) 2022-02-09 — — EP claimed
EP-3825303-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nippon Chemiphar Co., Ltd. (JP) 2021-05-26 — — EP claimed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 — — WO 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
WO-2020203610-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING RHEUMATOID ARTHRITIS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
WO-2020203609-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS 日本ケミファ株式会社 2020-10-08 — — WO disclosed
WO-2020017569-A1 T-TYPE CALCIUM CHANNEL BLOCKER 日本ケミファ株式会社 2020-01-23 — — WO 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 2397/4885SIGMAR1 732/4885RPS6KB1 1000/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCR2 2218/4885SIGMAR1 1981/4885RPS6KB1 2383/4885

“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.

Send feedback