SCHEMBL1383702

SCHEMBL1383702

CC(c1ccc(N)nc1)c1cccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
F10 P00742 1/20 0.42

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
Hydrochloric Acid SCHEMBL4412811 0.99 TPSAB1 (0.47) TPSAB1CYP3A4CYP2D6KCNH2F10
SCHEMBL1385454 0.87 TPSAB1 (0.56) TPSAB1
SCHEMBL1384001 0.86 TPSAB1 (0.51) TPSAB1CYP3A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4408175 0.86 TPSAB1 (0.55) TPSAB1
Hydrochloric Acid SCHEMBL4412861 0.85 TPSAB1 (0.50) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL1383703 0.83 TPSAB1 (0.48) TPSAB1CYP3A4CYP2D6KCNH2F10
Hydrochloric Acid SCHEMBL4398759 0.82 TPSAB1 (0.48) TPSAB1CYP3A4CYP2D6KCNH2F10
Hydrochloric Acid SCHEMBL4396154 0.81 TPSAB1 (0.56) TPSAB1
SCHEMBL16771472 0.81 TPSAB1 (0.54) TPSAB1CYP3A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4404465 0.80 TPSAB1 (0.51) TPSAB1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796732-B2 2011-10-19 JP claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP claimed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US claimed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US claimed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP claimed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO claimed
EP-1296972-B1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMA INC (US) 2009-12-23 EP disclosed
US-6977263-B2 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US disclosed
US-20050228018-A1 Chemical compounds AVENTIS PHARMACEUTICALS INC. (US) 2005-10-13 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 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-20050228018-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885CYP3A4 1205/4885CYP2D6 1526/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885CYP3A4 1205/4885CYP2D6 1526/4885

“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.