SCHEMBL21580330

SCHEMBL21580330

O=C(O)NC1CC(=O)N(c2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 2/20 0.45
▸ LMNA P02545 5/20 0.45
▸ POLB P06746 2/20 0.44
▸ CHRM4 P08173 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL23951927 0.85 DPP4 (0.46) DPP4TP53MAPTLMNAPOLB
SCHEMBL29661724 0.85 DPP4 (0.46) DPP4TP53MAPTLMNAPOLB
SCHEMBL23067586 0.81 CA12 (0.57) DPP4MAPTPOLB
SCHEMBL23387323 0.78 CCNC (0.63) CHRM4CHRM2
SCHEMBL23387271 0.78 CCNC (0.63) CHRM4CHRM2
SCHEMBL23387275 0.78 CCNC (0.63) CHRM4CHRM2
SCHEMBL21580294 0.77 DPP4 (0.54) DPP4CHRM4CHRM2
SCHEMBL30495509 0.77 DPP4 (0.52) DPP4CHRM4CHRM2
SCHEMBL23067588 0.77 DPP4 (0.52) DPP4CHRM4CHRM2
SCHEMBL23387260 0.76 CCNC (0.56) CHRM4CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370761-B2 Voltage-dependent T-type calcium channel inhibitor NIPPON CHEMIPHAR CO., LTD. (JP) 2022-06-28 — — US disclosed
US-20210323930-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR KINKI UNIVERSITY (JP) 2021-10-21 — — US disclosed
EP-3572403-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR Nippon Chemiphar Co., Ltd. (JP) 2019-11-27 — — EP 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-11370761-B2 Voltage-dependent T-type calcium channel inhibitor CACNA1I, CACNA1G, CACNA1H DPP4 4341/4885TP53 3591/4885MAPT 176/4885
US-20210323930-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H DPP4 4341/4885TP53 3591/4885MAPT 176/4885

“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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