SCHEMBL24437121

SCHEMBL24437121

O=C(Nc1ccncc1F)c1cn(CC2CC2)c2c1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 3/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ ROCK2 O75116 5/20 0.37
▸ CNR1 P21554 3/20 0.36
▸ CNR2 P34972 3/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ KDM4C Q9H3R0 3/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ MAPT P10636 1/20 0.34

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
SCHEMBL24437195 0.81 CNR1 (0.42) CHRM1ROCK2CNR1CNR2KDM4C
SCHEMBL24437154 0.81 DYRK1A (0.49) CHRM1ROCK2CNR1CNR2KDM4C
SCHEMBL24437153 0.80 FABP3 (0.40) CNR1CNR2MAPT
SCHEMBL24437274 0.79 CNR1 (0.51) CNR1CNR2
SCHEMBL24437333 0.78 WNT1 (0.39) OPRM1OPRL1ROCK2KDM4CWNT1
SCHEMBL24437314 0.77 KDM4C (0.40) OPRM1OPRL1ROCK2KDM4CWNT1
SCHEMBL24437323 0.77 PDE6D (0.42) CHRM1CNR1CNR2
SCHEMBL24437144 0.77 CNR1 (0.54) OPRM1OPRL1CNR1CNR2
SCHEMBL24437232 0.77 HTR3A (0.46) CNR1CNR2
SCHEMBL24437269 0.71 HIF1A (0.42) OPRM1OPRL1ROCK2KDM4C

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 CHRM1 2817/4885OPRM1 1031/4885OPRL1 253/4885

“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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