SCHEMBL6904329

SCHEMBL6904329

COc1ccc(-n2nnnc2C(F)(F)F)c(OC)c1CN1CCN(Cc2cnn(C)c2)[C@H](C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 17/20 0.34

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
Hydrochloric Acid SCHEMBL6904110 0.99 TACR1 (0.35) TACR1
Hydrochloric Acid SCHEMBL6904903 0.88 TACR1 (0.35) TACR1
Hydrochloric Acid SCHEMBL6903202 0.78 TACR1 (0.40) TACR1
SCHEMBL7060115 0.78 TACR1 (0.38) TACR1
SCHEMBL6903445 0.78 TACR1 (0.38) TACR1
SCHEMBL7060120 0.78 TACR1 (0.38) TACR1
Hydrochloric Acid SCHEMBL6906073 0.78 TACR1 (0.39) TACR1
SCHEMBL6903170 0.76 TACR1 (0.39) TACR1
Hydrochloric Acid SCHEMBL7060852 0.75 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL7059890 0.75 TACR1 (0.43) 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 4 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 claimed
JP-2004517873-A 2004-06-17 JP claimed
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP claimed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 WO claimed

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 TACR1 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.