SCHEMBL6904588

SCHEMBL6904588

CCOc1ccc(N)c(OCC)c1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.50
TSHR P16473 4/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
KMT2A Q03164 2/20 0.46
CREBBP Q92793 2/20 0.46
ALDH1A1 P00352 6/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 3/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 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
SCHEMBL3983602 0.81 ALDH1A1 (0.53) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL27775875 0.79 GAA (0.55) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL3980163 0.78 MAPT (0.49) GAATSHRMAPK1HSD17B10USP2
SCHEMBL6900910 0.78 CA12 (0.53) GAAHSD17B10SMN1; SMN2TDP1KMT2A
SCHEMBL6904034 0.76 KDM4E (0.49) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL6904936 0.76 GAA (0.48) GAASMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL12187446 0.76 GAA (0.52) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL6675123 0.75 ALDH1A1 (0.53) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL25337733 0.74 USP2 (0.73) GAATSHRMAPK1HSD17B10SMN1; SMN2
SCHEMBL223446 0.74 HSD17B10 (0.55) GAATSHRMAPK1HSD17B10SMN1; SMN2

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 2245/4885TSHR 507/4885MAPK1 643/4885

“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.