SCHEMBL6904936

SCHEMBL6904936

CCOc1ccc([N+](=O)[O-])c(OCC)c1C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 9/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL28782701 0.82 GAA (0.45) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL17512389 0.80 GAA (0.64) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6902580 0.79 KMT2A (0.58) SMN1; SMN2POLBALDH1A1LMNAMEN1
SCHEMBL221362 0.77 AR (0.61) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL25529652 0.76 LMNA (0.49) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6904588 0.76 GAA (0.50) GAASMN1; SMN2POLBALDH1A1MEN1
SCHEMBL9159973 0.74 MAPT (0.48) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL1647855 0.74 ALDH1A1 (0.50) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL1515858 0.73 ALDH1A1 (0.44) GAASMN1; SMN2POLBALDH1A1LMNA
SCHEMBL6900910 0.73 CA12 (0.53) GAASMN1; SMN2ALDH1A1KMT2AL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 US disclosed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 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 (1 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 GAA 2245/4885SMN1; SMN2 3573/4885POLB 4804/4885

“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.