SCHEMBL1149632

SCHEMBL1149632

O=C1N(C2CCCCC2)c2cccnc2C1(Br)Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.48
▸ OPRM1 P35372 8/20 0.46
▸ OPRL1 P41146 7/20 0.46
▸ OPRD1 P41143 3/20 0.46
▸ MARK3 P27448 1/20 0.38
▸ MARK4 Q96L34 1/20 0.38
▸ OPRK1 P41145 5/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ CYP19A1 P11511 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL27803968 0.70 ALDH1A1 (0.49) ALDH1A1OPRM1OPRL1OPRD1MARK3
SCHEMBL1150381 0.70 OPRL1 (0.57) ALDH1A1OPRM1OPRL1OPRD1OPRK1
SCHEMBL1149635 0.68 EGLN1 (0.43) ALDH1A1MAPK1
SCHEMBL1150378 0.65 BACE1 (0.38) MARK3MARK4
SCHEMBL31080034 0.65 MAP4K1 (0.42) OPRM1OPRL1OPRD1
SCHEMBL9212583 0.65 ALDH1A1 (1.00) ALDH1A1LMNAMEN1GFERKMT2A
SCHEMBL2583359 0.65 CYP19A1 (0.38) ALDH1A1OPRM1OPRL1OPRD1OPRK1
SCHEMBL30686535 0.64 ALDH1A1 (0.35) ALDH1A1OPRM1OPRL1OPRD1MARK3
SCHEMBL31079868 0.64 MAP4K1 (0.39) —
SCHEMBL1234120 0.63 EGLN1 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580813-B2 Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-11-12 — — US disclosed
EP-2240482-B1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-07-17 — — EP disclosed
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-02-17 — — US disclosed
EP-2240482-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2010-10-20 — — EP disclosed
WO-2009095162-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2009-08-06 — — 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-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 ALDH1A1 2609/4885OPRM1 2064/4885OPRL1 1927/4885

“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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