SCHEMBL24437314

SCHEMBL24437314

O=C(Nc1ccncc1F)c1nn(CC2CCC2)c2c1CCCC2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRL1 P41146 1/20 0.39
▸ ROCK2 O75116 6/20 0.39
▸ WNT1 P04628 1/20 0.38
▸ PIM1 P11309 2/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ PIM2 Q9P1W9 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 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
SCHEMBL24437333 0.95 WNT1 (0.39) KDM4COPRM1OPRL1ROCK2WNT1
SCHEMBL24437166 0.89 OPRM1 (0.40) KDM4COPRM1OPRL1PIM1PIM3
SCHEMBL24437321 0.86 GRM5 (0.40) KDM4COPRM1OPRL1BRD4CREBBP
SCHEMBL24437156 0.84 CREBBP (0.40) KDM4COPRM1OPRL1BRD4CREBBP
SCHEMBL24437200 0.80 CNR1 (0.51) KDM4COPRM1OPRL1ROCK2
SCHEMBL24437121 0.77 CHRM1 (0.39) KDM4COPRM1OPRL1ROCK2WNT1
SCHEMBL24437151 0.76 CNR1 (0.48) KDM4CROCK2
SCHEMBL24437272 0.75 ROCK2 (0.41) KDM4COPRM1OPRL1ROCK2WNT1
SCHEMBL29601370 0.75 ROCK2 (0.41) KDM4COPRM1OPRL1ROCK2WNT1
SCHEMBL24437135 0.74 KDM4C (0.52) KDM4CROCK2WNT1MAPK14HDAC1

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-12459938-B2 ORAI channel inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2025-11-04 — — US disclosed
US-20220153735-A1 Orai Channel Inhibitors BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2022-05-19 — — US disclosed
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 (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-12459938-B2 ORAI channel inhibitors ORAI1, CACNA1E, ORAI3 KDM4C 2563/4885OPRM1 607/4885OPRL1 214/4885
US-20220153735-A1 Orai Channel Inhibitors ORAI2, ORAI1, ORAI3 KDM4C 3959/4885OPRM1 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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