SCHEMBL1059425

SCHEMBL1059425

Nc1cc(C2=CN3CCC2CC3)c2occc2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 20/20 0.49
▸ CHRM4 P08173 20/20 0.49
▸ CHRM5 P08912 20/20 0.49
▸ CHRM1 P11229 20/20 0.49
▸ CHRM3 P20309 20/20 0.49

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
SCHEMBL1060892 0.79 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1062439 0.65 CHRM2 (0.72) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7401950 0.65 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2274975 0.63 MAOA (0.39) —
SCHEMBL1064214 0.63 ALDH1A1 (0.44) —
SCHEMBL7398598 0.63 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1062624 0.63 DYRK1A (0.44) CHRM1
SCHEMBL12253743 0.62 NOS1 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2264789 0.62 NOS1 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7398654 0.62 CHRM2 (1.00) CHRM2CHRM4CHRM5CHRM1CHRM3

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-20110015185-A1 Benzofuran Compounds BIOVITRUM AB (SE) 2011-01-20 — — US disclosed
US-7820675-B2 Benzofuran compounds BIOVITRUM AB (SE) 2010-10-26 — — US disclosed
US-20060287291-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2006-12-21 — — US disclosed
EP-1694663-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER Biovitrum Aktiebolag (SE) 2006-08-30 — — EP disclosed
WO-2005058858-A1 NOVEL BENZOFURAN DERIVATIVES, WHICH CAN BE USED IN PROPHYLAXIS OR TREATMENT OF 5-HT6 RECEPTOR-RELATED DISORDER BIOVITRUM AB (SE) 2005-06-30 — — 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 (2 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-20060287291-A1 Compounds HTR6, HTR1B, HTR1A CHRM2 87/4885CHRM4 152/4885CHRM5 59/4885
US-20110015185-A1 Benzofuran Compounds HTR6, HTR1F, HTR1A CHRM2 317/4885CHRM4 567/4885CHRM5 282/4885

“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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