SCHEMBL6906733

SCHEMBL6906733

COc1ncc(-n2nnnc2C(F)(F)F)c(OC)c1CO

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TACR1 P25103 2/20 0.30

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
SCHEMBL6906160 0.80 TACR1 (0.35) TACR1
SCHEMBL6904039 0.79 ALDH1A1 (0.32) TACR1
SCHEMBL6905066 0.79 GABRB3 (0.34) MEN1KMT2ATACR1
SCHEMBL6906886 0.72 GAA (0.36) TACR1
SCHEMBL6906887 0.70 TACR1 (0.35) TACR1
SCHEMBL5345569 0.68 TACR1 (0.37) MEN1KMT2ATACR1
SCHEMBL8326702 0.66 TACR1 (0.38) TACR1
SCHEMBL6918745 0.66 HSD17B10 (0.35) MEN1KMT2ATACR1
SCHEMBL5942758 0.65 KCNJ5 (0.39)
SCHEMBL14435499 0.65 AGBL2 (0.36) TACR1

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 MEN1 442/4885KMT2A 1539/4885TACR1 3/4885

“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.