SCHEMBL21625640

SCHEMBL21625640

O=C(Cc1ccc(C2CC2)cc1)N[C@@H]1CCCN(c2cncc(C(F)(F)F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 3/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ S100A4 P26447 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GRIA2 P42262 1/20 0.42
▸ SIGMAR1 Q99720 4/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ BTK Q06187 3/20 0.40
▸ PHGDH O43175 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ GRIN2B Q13224 1/20 0.38
▸ AOC3 Q16853 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
SCHEMBL21625641 1.00 CCR2 (0.44) CCR2KCNH2S100A4CYP3A4CYP2D6
SCHEMBL21624716 0.94 SIGMAR1 (0.45) CCR2KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL21624719 0.94 SIGMAR1 (0.45) CCR2KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL21625663 0.87 ME3 (0.46) CCR2KCNH2S100A4CYP3A4CYP2D6
SCHEMBL21625664 0.87 ME3 (0.46) CCR2KCNH2S100A4CYP3A4CYP2D6
SCHEMBL21624756 0.86 SIGMAR1 (0.53) CCR2SIGMAR1GRIN2BAOC3
SCHEMBL21624755 0.86 SIGMAR1 (0.53) CCR2SIGMAR1GRIN2BAOC3
SCHEMBL21624722 0.85 ME3 (0.50) CCR2SIGMAR1GRIN2BAOC3
SCHEMBL21624725 0.85 ME3 (0.50) CCR2SIGMAR1GRIN2BAOC3
SCHEMBL21624710 0.85 SIGMAR1 (0.46) CCR2SIGMAR1AOC3

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 10 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-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 2397/4885KCNH2 43/4885S100A4 1619/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 CCR2 2218/4885KCNH2 121/4885S100A4 460/4885

“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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