SCHEMBL24437130

SCHEMBL24437130

Cc1cnccc1NC(=O)c1nn(CC2CC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.50
▸ ROCK2 O75116 7/20 0.48
▸ KDM4C Q9H3R0 3/20 0.46
▸ ROCK1 Q13464 3/20 0.44
▸ HTR4 Q13639 1/20 0.41
▸ SSTR4 P31391 1/20 0.41
▸ HTR3A P46098 3/20 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
SCHEMBL24437128 0.96 CNR1 (0.53) CNR1ROCK2KDM4CROCK1HTR3A
SCHEMBL24437151 0.88 CNR1 (0.48) CNR1ROCK2KDM4CROCK1HTR3A
SCHEMBL24437200 0.84 CNR1 (0.51) CNR1ROCK2KDM4CROCK1HTR3A
SCHEMBL24437321 0.80 GRM5 (0.40) KDM4C
SCHEMBL24437156 0.80 CREBBP (0.40) KDM4C
SCHEMBL24437163 0.80 CNR1 (0.51) CNR1
SCHEMBL29601258 0.79 KDM4C (0.57) CNR1ROCK2KDM4C
SCHEMBL24437308 0.79 KDM4C (0.57) CNR1ROCK2KDM4C
SCHEMBL24437166 0.77 OPRM1 (0.40) KDM4C
SCHEMBL24437135 0.76 KDM4C (0.52) CNR1ROCK2KDM4CROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — US 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-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 CNR1 940/4885ROCK2 1486/4885KDM4C 3959/4885

“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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