SCHEMBL6485542

SCHEMBL6485542

CCOC(=O)[C@@H]1CN(C(=O)c2cncc(CCc3ccccc3)c2)CC[C@H]1c1cccc(CN)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ CHRM2 P08172 2/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM5 P08912 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SLC6A3 Q01959 1/20 0.39
▸ SLC18A2 Q05940 1/20 0.39
▸ PARP1 P09874 1/20 0.38

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
SCHEMBL6528978 1.00 NPC1 (0.45) NPC1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL6485538 0.99 NPC1 (0.45) NPC1CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL4405997 0.87 NPC1 (0.39) NPC1GAATSHRMAPK1HSD17B10
SCHEMBL7015619 0.86 NPC1 (0.41) NPC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4406858 0.86 TACR1 (0.43) NPC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4406579 0.86 NPC1 (0.41) NPC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4406581 0.85 SLC18A2 (0.41) NPC1CHRM2CHRM4CHRM5CHRM1
SCHEMBL7021172 0.80 TPSAB1 (0.53) —
Hydrochloric Acid SCHEMBL4402047 0.79 TPSAB1 (0.52) —
SCHEMBL27500873 0.77 NAMPT (0.41) NPC1MEN1KMT2ARAB9A

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-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US claimed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 — — US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 — — 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-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 NPC1 806/4885CHRM2 425/4885CHRM4 580/4885

“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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