SCHEMBL4411520

SCHEMBL4411520

NCc1cccc(C2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 6/20 0.55
HPGD P15428 1/20 0.51
UBE2M P61081 1/20 0.50
DCUN1D1 Q96GG9 1/20 0.50
TSHR P16473 1/20 0.50
HSD11B1 P28845 1/20 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
Trifluoroacetic Acid SCHEMBL4399218 0.93 TPSAB1 (0.61) TPSAB1
SCHEMBL14898104 0.90 TPSAB1 (0.55) TPSAB1
SCHEMBL14898142 0.86 TPSAB1 (0.52) TPSAB1
SCHEMBL12801511 0.85 TPSAB1 (0.56) TPSAB1
SCHEMBL1381557 0.85 MEN1 (0.62) TPSAB1
Hydrochloric Acid SCHEMBL13834810 0.84 TPSAB1 (0.55) TPSAB1
SCHEMBL16771622 0.84 TPSAB1 (0.57) TPSAB1
SCHEMBL15861954 0.84 MGLL (0.58) TPSAB1
SCHEMBL14882331 0.83 TPSAB1 (0.54) TPSAB1
SCHEMBL14882330 0.83 TPSAB1 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CORNELL UNIVERSITY (US) 2024-04-30 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME UNIV CORNELL (US) 2020-11-12 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US disclosed
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CORNELL UNIVERSITY (US) 2014-07-10 US 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 (3 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-11970448-B2 Monomers capable of dimerizing in an aqueous solution, and methods of using same CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885HPGD 2803/4885UBE2M 1925/4885
US-20200354319-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885HPGD 2803/4885UBE2M 1925/4885
US-20140194383-A1 MONOMERS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME CALCOCO2, MDN1, MBNL1 TPSAB1 4475/4885HPGD 2803/4885UBE2M 1925/4885

“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.