SCHEMBL3298353

SCHEMBL3298353

Clc1ccc(CBr)c(-c2ccc(Cl)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ OXTR P30559 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ GCGR P47871 8/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ MAP4K4 O95819 3/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ KCNQ3 O43525 1/20 0.36
▸ KCNQ2 O43526 1/20 0.36
▸ KCNE1 P15382 1/20 0.36
▸ KCNQ1 P51787 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ MINK1 Q8N4C8 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36

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
SCHEMBL3300341 0.85 NPC1 (0.43) NPC1OXTRAVPR1APIK3CDGCGR
SCHEMBL14053830 0.77 GCGR (0.47) GCGR
SCHEMBL10899210 0.74 AHR (0.52) NPC1PIK3CDCYP2A6
SCHEMBL1742300 0.68 PIK3CD (0.61) NPC1PIK3CDCYP2A6MAP4K4KCNQ3
SCHEMBL1958251 0.68 MAP4K4 (0.40) NPC1MAP4K4CYP1A2KCNH2MINK1
SCHEMBL1662273 0.67 PIK3CD (0.73) NPC1PIK3CDCYP2A6CYP1A2
SCHEMBL384040 0.66 IDO1 (0.44) CYP2A6CYP1A2
SCHEMBL30089455 0.66 IDO1 (0.44) CYP2A6CYP1A2
SCHEMBL4390296 0.66 PSEN1 (0.43) NPC1GCGR
SCHEMBL28489187 0.65 ESR1 (0.30) —

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 1086/4885OXTR 767/4885AVPR1A 2874/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 NPC1 1086/4885OXTR 767/4885AVPR1A 2874/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 NPC1 977/4885OXTR 217/4885AVPR1A 966/4885

“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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