SCHEMBL26633796

SCHEMBL26633796

COc1ccc(CN)cc1.COc1ccc(CNC(=O)NCCCCC2CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CASR P41180 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MCHR1 Q99705 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CCR1 P32246 1/20 0.40
▸ CCR3 P51677 1/20 0.39

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
SCHEMBL26633912 0.86 NAMPT (0.44) SMN1; SMN2ALDH1A1MAPK1KEAP1NFE2L2
SCHEMBL26633778 0.83 MEN1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL26633733 0.80 NAMPT (0.41) KEAP1NFE2L2
SCHEMBL26633874 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACASRALDH1A1
SCHEMBL24011184 0.79 NAMPT (0.57) CASRKEAP1NFE2L2
SCHEMBL24011100 0.77 CYP2C9 (0.49) SMN1; SMN2NPC1CASRKEAP1NFE2L2
SCHEMBL13366908 0.71 CASR (0.63) SMN1; SMN2NPC1RAB9ACASRALDH1A1
SCHEMBL12466536 0.71 MEN1 (0.62) SMN1; SMN2NPC1TSHRHRH3MEN1
SCHEMBL24011409 0.70 CASR (0.59) SMN1; SMN2NPC1RAB9ACASRALDH1A1
SCHEMBL26764081 0.70 CNR1 (0.60) SMN1; SMN2NPC1RAB9ACASR

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-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 — — 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-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT SMN1; SMN2 610/4885NPC1 128/4885RAB9A 814/4885

“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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