SCHEMBL24997452

SCHEMBL24997452

CS1(C)c2cc(N3CCC3)ccc2C2(OC(=O)c3ccc(C(=O)NCCOCCOCCCCCCCl)cc32)c2ccc(N3CC(C(=O)O)C3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.34
▸ NT5E P21589 1/20 0.33
▸ F10 P00742 3/20 0.32
▸ ITGB3 P05106 3/20 0.32
▸ ITGA2B P08514 3/20 0.32
▸ MAPT P10636 3/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ TP53 P04637 2/20 0.31
▸ MDM2 Q00987 2/20 0.31
▸ KCNH2 Q12809 2/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ SMN1; SMN2 Q16637 2/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30

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
SCHEMBL23029172 0.95 OPRM1 (0.35) OPRM1NT5EMAPTTLR2TP53
SCHEMBL23029077 0.90 OPRM1 (0.34) OPRM1NT5EF10ITGB3ITGA2B
SCHEMBL30112567 0.87 NT5E (0.40) OPRM1NT5EF10ITGB3ITGA2B
SCHEMBL24942508 0.87 NT5E (0.40) OPRM1NT5EF10ITGB3ITGA2B
SCHEMBL18526372 0.85 OPRM1 (0.37) OPRM1NT5EMAPTTLR2KCNH2
SCHEMBL23029214 0.84 — —
SCHEMBL23029076 0.84 OPRM1 (0.35) OPRM1NT5EF10MAPTTLR2
SCHEMBL18526322 0.84 NT5E (0.41) OPRM1NT5EMAPTTLR2KCNH2
SCHEMBL18526374 0.83 OPRM1 (0.36) OPRM1NT5EMAPTTLR2KCNH2
SCHEMBL29406990 0.83 OPRM1 (0.36) OPRM1NT5EMAPTTLR2KCNH2

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-20230038702-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS HOWARD HUGHES MEDICAL INSTITUTE 2023-02-09 — — 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-20230038702-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS ATP2A2, ATP2A3, CACNB2 OPRM1 1011/4885NT5E 1820/4885F10 3269/4885

“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.

Send feedback