SCHEMBL23029077

SCHEMBL23029077

C[Si]1(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 2/20 0.34
▸ F10 P00742 7/20 0.33
▸ ITGB3 P05106 5/20 0.33
▸ ITGA2B P08514 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TLR2 O60603 2/20 0.31
▸ PRSS1 P07477 2/20 0.31
▸ PRSS2 P07478 2/20 0.31
▸ PRSS3 P35030 2/20 0.31
▸ CACNA1G O43497 2/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD3 P35462 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
SCHEMBL23029076 0.95 OPRM1 (0.35) OPRM1NT5EF10ALDH1A1SMN1; SMN2
SCHEMBL18526374 0.95 OPRM1 (0.36) OPRM1NT5EALDH1A1SMN1; SMN2KDM4E
SCHEMBL29406990 0.95 OPRM1 (0.36) OPRM1NT5EALDH1A1SMN1; SMN2KDM4E
SCHEMBL19956800 0.91 NT5E (0.36) OPRM1NT5EALDH1A1SMN1; SMN2KDM4E
SCHEMBL30112665 0.91 NT5E (0.35) OPRM1NT5EKCNH2
SCHEMBL24942970 0.91 NT5E (0.35) OPRM1NT5EKCNH2
SCHEMBL29720293 0.91 NT5E (0.35) OPRM1NT5EALDH1A1SMN1; SMN2KDM4E
SCHEMBL18526368 0.91 NT5E (0.35) OPRM1NT5EALDH1A1SMN1; SMN2KDM4E
SCHEMBL24997452 0.90 OPRM1 (0.34) OPRM1NT5EF10ITGB3ITGA2B
SCHEMBL24942508 0.87 NT5E (0.40) OPRM1NT5EF10ITGB3ITGA2B

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 2 patents. 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
US-20210054001-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS HOWARD HUGHES MEDICAL INSTITUTE 2021-02-25 — — 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-20230038702-A1 BRIGHT TARGETABLE RED CA2+ INDICATORS ATP2A2, ATP2A3, CACNB2 OPRM1 1011/4885NT5E 1820/4885F10 3269/4885
US-20210054001-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.

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