SCHEMBL4406743

SCHEMBL4406743

O=C(c1cc2ccccc2oc1=O)N1CCC(c2cccc(CNOC(=O)C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
NPC1 O15118 2/20 0.52
HTT P42858 1/20 0.52
PKM P14618 1/20 0.50
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TPSAB1 Q15661 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL4395814 0.85 TPSAB1 (0.51) TPSAB1
Trifluoroacetic Acid SCHEMBL4406739 0.83 TPSAB1 (0.62) TPSAB1
SCHEMBL4397998 0.81 TPSAB1 (0.49) TPSAB1
SCHEMBL1381807 0.76 F10 (0.59) MEN1TSHRKMT2ATPSAB1
SCHEMBL4414515 0.75 MAPK14 (0.47) TPSAB1
SCHEMBL4407654 0.75 ALDH1A1 (0.52) ALDH1A1TPSAB1
SCHEMBL6808390 0.75 F10 (0.55) TPSAB1
SCHEMBL4403890 0.74 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL4412792 0.73 TPSAB1 (0.42) TPSAB1
SCHEMBL4403861 0.73 TPSAB1 (0.43) 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 4 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

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 RAB9A 1607/4885NPC1 806/4885HTT 1624/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 RAB9A 1607/4885NPC1 806/4885HTT 1624/4885

“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.