SCHEMBL4332682

SCHEMBL4332682

O=C(OCc1ccccc1)N1CCC(c2nc(-c3cccc(Br)n3)c(-c3ccc4c(c3)OCO4)n2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
AVPR1A P37288 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
GRIN2B Q13224 1/20 0.40
EDNRA P25101 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SCD5 Q86SK9 1/20 0.39
PRKCZ Q05513 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 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
SCHEMBL4343582 0.91 TRPC3 (0.42) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL5200051 0.85 TRPC3 (0.42) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL4342038 0.85 GRIN2B (0.43) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL4332564 0.84 TRPC3 (0.42) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL4337240 0.83 TGFBR1 (0.43) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL4339463 0.81 ALDH1A1 (0.41) TRPC3TRPC7ALDH1A1TSHREDNRA
SCHEMBL4337346 0.79 TRPC3 (0.42) TRPC3TRPC7OPRM1OPRK1AVPR1A
SCHEMBL4342554 0.77 ALDH1A1 (0.42) TRPC3TRPC7ALDH1A1TSHREDNRA
SCHEMBL4346463 0.77 ALDH1A1 (0.43) ALDH1A1TSHRGRIN2BEDNRASCD5
SCHEMBL4342111 0.75 TGFBR1 (0.49) TRPC3TRPC7OPRM1OPRK1AVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612094-B2 Tri-substituted heteroaryls and methods of making and using the same BIOGEN IDEC MA INC. (US) 2009-11-03 US claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
US-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same BIOGEN MA INC. 2006-03-23 US claimed
CN-1658866-A Tri-substituted heteroaryls and methods of making and using the same BIOGEN INC (US) 2005-08-24 CN claimed
EP-1499308-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2005-01-26 EP claimed
WO-2003087304-A2 TRI-SUBSTITUTED HETEROARYLS AND METHODS OF MAKING AND USING THE SAME BIOGEN, INC. (US) 2003-10-23 WO claimed
WO-2008013928-A2 TREATMENT OF CANCER WITH INTERFERON GENE DELIVERY IN COMBINATION WITH A TGF-BETA INHIBITOR BIOGEN IDEC MA INC. (US) 2008-01-31 WO disclosed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO 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-20060063809-A1 Tri-substituted heteroaryls and methods of making and using the same ALK, ACVR1, ACVRL1 TRPC3 1899/4885TRPC7 2510/4885OPRM1 1819/4885

“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.