SCHEMBL21624770

SCHEMBL21624770

CC(C)(O)c1cncc(N2CC[C@@H](NC(=O)O)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 14/20 0.40
▸ CYP11B1 P15538 10/20 0.40
▸ CCR6 P51684 3/20 0.39
▸ CYP19A1 P11511 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ SMPD3 Q9NY59 1/20 0.37

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
SCHEMBL21624773 1.00 CYP11B2 (0.40) CYP11B2CYP11B1CCR6CYP19A1CYP2C9
SCHEMBL23387230 0.87 NOTUM (0.44) SMPD3
SCHEMBL23387339 0.87 NOTUM (0.44) SMPD3
SCHEMBL23387232 0.87 NOTUM (0.44) SMPD3
SCHEMBL29689525 0.86 CTSK (0.46) —
SCHEMBL15286551 0.84 CHRNB2 (0.52) HRH4SMPD3
SCHEMBL21624638 0.81 CYP11B2 (0.42) CYP11B2
SCHEMBL21624636 0.81 CYP11B2 (0.42) CYP11B2
SCHEMBL23387377 0.80 CHRNB2 (0.51) HRH4SMPD3
SCHEMBL23387374 0.80 CHRNB2 (0.51) HRH4SMPD3

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 4 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 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 (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 CYP11B2 2135/4885CYP11B1 2920/4885CCR6 1933/4885

“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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