SCHEMBL3300341

SCHEMBL3300341

OCc1ccc(Cl)cc1-c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ PIK3CD O00329 1/20 0.41
▸ OXTR P30559 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ GCGR P47871 11/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL3298353 0.85 NPC1 (0.42) NPC1PIK3CDOXTRAVPR1AGCGR
SCHEMBL4390296 0.77 PSEN1 (0.43) NPC1GCGRNOTUM
SCHEMBL21507851 0.77 PTGDR2 (0.50) CYP2A6
SCHEMBL10899210 0.75 AHR (0.52) NPC1PIK3CDCYP2A6
SCHEMBL4727663 0.70 TRPV3 (0.44) NPC1PIK3CDCYP2A6NOTUM
SCHEMBL14681833 0.70 CTRC (0.48) CNR2
SCHEMBL1742300 0.69 PIK3CD (0.61) NPC1PIK3CDCYP2A6NOTUMMAP4K4
SCHEMBL11831790 0.69 CBFB (0.47) NPC1
SCHEMBL14686350 0.69 MAPT (0.43) NOTUM
SCHEMBL1662273 0.69 PIK3CD (0.73) NPC1PIK3CDCYP2A6NOTUM

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 — — US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 — — US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 — — US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 — — US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 — — US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 — — 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 NPC1 1086/4885PIK3CD 946/4885OXTR 767/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 NPC1 1086/4885PIK3CD 946/4885OXTR 767/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 NPC1 977/4885PIK3CD 4561/4885OXTR 217/4885

“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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