SCHEMBL22499998

SCHEMBL22499998

COc1cccc(N2CCC(NC(=O)Cc3ccc(C4CC4)cc3)C2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.69
▸ MTNR1B P49286 1/20 0.69
▸ SIGMAR1 Q99720 3/20 0.53
▸ MCHR1 Q99705 2/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ CCR8 P51685 2/20 0.46
▸ NPY5R Q15761 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ME3 Q16798 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 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
SCHEMBL22499995 1.00 MTNR1A (0.69) MTNR1AMTNR1BSIGMAR1MCHR1EPHX2
SCHEMBL23387200 0.87 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL23387198 0.87 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL21624749 0.86 ME3 (0.51) MTNR1AMTNR1BSIGMAR1LMNAME3
SCHEMBL21624746 0.86 ME3 (0.51) MTNR1AMTNR1BSIGMAR1LMNAME3
SCHEMBL1967518 0.84 MTNR1A (0.83) MTNR1AMTNR1BSIGMAR1MCHR1CCR8
SCHEMBL1964369 0.84 MTNR1A (0.83) MTNR1AMTNR1BSIGMAR1MCHR1CCR8
SCHEMBL29689580 0.84 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL10324092 0.82 MTNR1B (1.00) MTNR1AMTNR1BSIGMAR1NPY5RLMNA
SCHEMBL10324093 0.82 MTNR1B (1.00) MTNR1AMTNR1BSIGMAR1NPY5RLMNA

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 8 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
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

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 MTNR1A 681/4885MTNR1B 398/4885SIGMAR1 732/4885
US-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS TRPV3, CACNA1G, TRPV2 MTNR1A 832/4885MTNR1B 557/4885SIGMAR1 1981/4885

“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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