SCHEMBL7001684

SCHEMBL7001684

COc1ccccc1CN1CCNC(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 12/20 0.53
GNAI3 P08754 1/20 0.50
CYP2D6 P10635 2/20 0.47
USP2 O75604 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CHRM5 P08912 2/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
GPR65 Q8IYL9 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 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
Hydrochloric Acid SCHEMBL6540449 0.99 TACR1 (0.53) TACR1GNAI3CYP2D6USP2SLC6A2
Hydrochloric Acid SCHEMBL6539724 0.99 TACR1 (0.53) TACR1GNAI3CYP2D6USP2SLC6A2
Hydrochloric Acid SCHEMBL6540599 0.86 TACR1 (0.54) TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL6540235 0.83 TACR1 (0.51) TACR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6541279 0.82 TACR1 (0.69) TACR1CYP2D6SLC6A3KCNH2TMEM97
SCHEMBL6335455 0.79 TACR1 (0.55) TACR1CYP2D6
SCHEMBL6335458 0.79 TACR1 (0.55) TACR1CYP2D6
SCHEMBL6960206 0.79 GNAI3 (0.53) TACR1GNAI3CYP2D6USP2MEN1
Hydrochloric Acid SCHEMBL6540731 0.79 TACR1 (0.51) TACR1KMT2A
Hydrochloric Acid SCHEMBL6541504 0.78 TACR1 (0.56) TACR1CYP2D6MEN1KMT2A

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 5 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
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
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 TACR1 3/4885GNAI3 885/4885CYP2D6 1939/4885

“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.