SCHEMBL4407034

SCHEMBL4407034

NCc1cccc(C2CCN(C(=O)c3cccc(CC(=O)c4ccc(O)cc4)c3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 9/20 0.51
▸ MGLL Q99685 2/20 0.47
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ PARP14 Q460N5 1/20 0.45
▸ PARP10 Q53GL7 1/20 0.45

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 SCHEMBL4398640 0.99 TPSAB1 (0.50) TPSAB1MGLLCYP3A4CYP2D6KCNH2
SCHEMBL1384004 0.88 TPSAB1 (0.52) TPSAB1MGLLCYP3A4CYP2D6KCNH2
Hydrochloric Acid SCHEMBL4404661 0.87 TPSAB1 (0.52) TPSAB1MGLLCYP3A4CYP2D6KCNH2
SCHEMBL15861954 0.86 MGLL (0.58) TPSAB1MGLL
SCHEMBL27499277 0.84 TPSAB1 (0.48) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL16771622 0.84 TPSAB1 (0.57) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL12801511 0.83 TPSAB1 (0.56) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL1381265 0.82 TPSAB1 (0.58) TPSAB1PARP14PARP10
Hydrochloric Acid SCHEMBL13834810 0.82 TPSAB1 (0.55) TPSAB1CYP3A4CYP2D6KCNH2
SCHEMBL1384001 0.81 TPSAB1 (0.51) TPSAB1MGLLCYP3A4CYP2D6KCNH2

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 TPSAB1 4/4885MGLL 429/4885CYP3A4 1205/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 TPSAB1 4/4885MGLL 429/4885CYP3A4 1205/4885

“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.

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