SCHEMBL4407654

SCHEMBL4407654

O=C(c1cccc(OCc2ccccc2)c1)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
PARP14 Q460N5 2/20 0.47
PARP10 Q53GL7 2/20 0.47
NAAA Q02083 1/20 0.44
TPSAB1 Q15661 6/20 0.43
MGLL Q99685 4/20 0.43
NR4A2 P43354 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
SCHEMBL4397998 0.90 TPSAB1 (0.49) TPSAB1
Trifluoroacetic Acid SCHEMBL4404828 0.84 TPSAB1 (0.59) ALDH1A1TPSAB1
SCHEMBL4414515 0.80 MAPK14 (0.47) TPSAB1
SCHEMBL4395814 0.79 TPSAB1 (0.51) TPSAB1
SCHEMBL24304100 0.78 ALDH1A1 (0.67) ALDH1A1NAAAMGLLNR4A2
SCHEMBL4412792 0.76 TPSAB1 (0.42) TPSAB1
SCHEMBL4403861 0.76 TPSAB1 (0.43) TPSAB1
SCHEMBL1381807 0.76 F10 (0.59) TPSAB1
Hydrochloric Acid SCHEMBL4398456 0.76 PARP14 (0.53) ALDH1A1PARP14PARP10TPSAB1
SCHEMBL22688327 0.75 ALDH1A1 (0.72) ALDH1A1NAAAMGLLNR4A2

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 ALDH1A1 729/4885PARP14 1968/4885PARP10 1533/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 ALDH1A1 729/4885PARP14 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.