SCHEMBL21624749

SCHEMBL21624749

O=C(Cc1ccc(C2CC2)cc1)NC1CCN(c2cccc(O)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ME3 Q16798 1/20 0.51
▸ MTNR1A P48039 1/20 0.50
▸ MTNR1B P49286 1/20 0.50
▸ SIGMAR1 Q99720 8/20 0.48
▸ USP30 Q70CQ3 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21624746 1.00 ME3 (0.51) ME3MTNR1AMTNR1BSIGMAR1USP30
SCHEMBL22499998 0.86 MTNR1A (0.69) ME3MTNR1AMTNR1BSIGMAR1RAB9A
SCHEMBL22499995 0.86 MTNR1A (0.69) ME3MTNR1AMTNR1BSIGMAR1RAB9A
SCHEMBL23387198 0.81 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL23387200 0.81 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL29689580 0.79 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL21624688 0.79 NOTUM (0.53) ME3SIGMAR1CCR3
SCHEMBL21624686 0.79 NOTUM (0.53) ME3SIGMAR1CCR3
SCHEMBL21624664 0.78 SIGMAR1 (0.47) ME3SIGMAR1CCR3
SCHEMBL21624663 0.78 SIGMAR1 (0.47) ME3SIGMAR1CCR3

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-20220226299-A1 USE OF T-TYPE CALCIUM CHANNEL BLOCKER FOR TREATING PRURITUS NIPPON CHEMIPHAR CO., LTD. (JP) 2022-07-21 — — US 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
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 (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 ME3 2914/4885MTNR1A 832/4885MTNR1B 557/4885

“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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