SCHEMBL4398574

SCHEMBL4398574

O=C(CCCc1c[nH]c2ccccc12)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TPSAB1 Q15661 3/20 0.50
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
PKM P14618 1/20 0.43
GLA P06280 1/20 0.42
MEN1 O00255 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
Trifluoroacetic Acid SCHEMBL4398571 0.84 TPSAB1 (0.71) ALDH1A1TPSAB1
SCHEMBL11224818 0.82 ALDH1A1 (0.59) ALDH1A1TPSAB1KMT2AKDM4EMAPT
SCHEMBL11233209 0.80 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL11258267 0.79 ALDH1A1 (0.62) ALDH1A1ACHEKMT2AKDM4EMAPT
SCHEMBL4395814 0.77 TPSAB1 (0.51) TPSAB1
SCHEMBL11240160 0.76 ALDH1A1 (0.66) ALDH1A1ACHEKMT2AKDM4EMAPT
SCHEMBL4397998 0.75 TPSAB1 (0.49) TPSAB1
SCHEMBL4403890 0.75 ALDH1A1 (0.40) ALDH1A1TPSAB1HPGDSMN1; SMN2LMNA
SCHEMBL11229781 0.74 ALDH1A1 (0.66) ALDH1A1ACHEKMT2AKDM4EMAPT
SCHEMBL11309055 0.74 ALDH1A1 (0.66) ALDH1A1KMT2AKDM4EMAPTHPGD

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 729/4885TPSAB1 4/4885BCHE 218/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 ALDH1A1 729/4885TPSAB1 4/4885BCHE 218/4885

“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.