SCHEMBL4414515

SCHEMBL4414515

O=C(c1ccc2cc[nH]c2c1)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
TPSAB1 Q15661 5/20 0.44
GHSR Q92847 4/20 0.43
OXTR P30559 1/20 0.42
SYK P43405 1/20 0.41

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
SCHEMBL4397998 0.85 TPSAB1 (0.49) TPSAB1
Trifluoroacetic Acid SCHEMBL4398268 0.82 TPSAB1 (0.64) MAPK14TPSAB1
SCHEMBL1383523 0.81 MAPK14 (0.56) MAPK14TPSAB1GHSROXTR
SCHEMBL4407654 0.80 ALDH1A1 (0.52) TPSAB1
SCHEMBL4395814 0.79 TPSAB1 (0.51) TPSAB1
SCHEMBL10064525 0.76 GHSR (0.55) MAPK14GHSROXTRSYK
SCHEMBL4406743 0.75 RAB9A (0.52) TPSAB1
SCHEMBL4403890 0.75 ALDH1A1 (0.40) TPSAB1
SCHEMBL22652494 0.74 MAPK14 (0.57) MAPK14TPSAB1OXTR
SCHEMBL1381807 0.73 F10 (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 6 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 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
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 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 MAPK14 2151/4885TPSAB1 4/4885GHSR 2792/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 MAPK14 2151/4885TPSAB1 4/4885GHSR 2792/4885

“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.