SCHEMBL1381265

SCHEMBL1381265

NCc1cccc(C2CCN(C(=O)c3cccc(CCc4ccccc4)c3)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 11/20 0.58
PARP14 Q460N5 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP1 P09874 1/20 0.50

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 SCHEMBL4408179 0.99 TPSAB1 (0.57) TPSAB1PARP14PARP10
SCHEMBL1384004 0.92 TPSAB1 (0.52) TPSAB1PARP1
Hydrochloric Acid SCHEMBL4404661 0.91 TPSAB1 (0.52) TPSAB1PARP1
Hydrochloric Acid SCHEMBL4396157 0.91 TPSAB1 (0.58) TPSAB1
SCHEMBL4396213 0.89 TPSAB1 (0.52) TPSAB1PARP14PARP10
Hydrochloric Acid SCHEMBL4412707 0.89 TPSAB1 (0.52) TPSAB1
SCHEMBL8350361 0.89 TPSAB1 (0.58) TPSAB1PARP14PARP10
SCHEMBL16771622 0.88 TPSAB1 (0.57) TPSAB1
SCHEMBL7021172 0.88 TPSAB1 (0.53) TPSAB1
Trifluoroacetic Acid SCHEMBL4412795 0.88 TPSAB1 (0.59) TPSAB1

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 4/4885PARP14 1968/4885PARP10 1533/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885PARP14 1968/4885PARP10 1533/4885

“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.