SCHEMBL6540454

SCHEMBL6540454

COc1ccc(OC(F)(F)F)cc1CN1CCN(C)C(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 18/20 0.72
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TSHR P16473 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
SCHEMBL6540907 0.86 TACR1 (0.54) TACR1
SCHEMBL6541473 0.86 TACR1 (0.69) TACR1
SCHEMBL6407233 0.84 TACR1 (1.00) TACR1
Hydrochloric Acid SCHEMBL6540621 0.83 TACR1 (0.67) TACR1HCRTR1HCRTR2
SCHEMBL7179751 0.83 TACR1 (0.56) TACR1KDM4E
SCHEMBL6541538 0.83 TACR1 (0.48) TACR1
SCHEMBL6541053 0.82 TACR1 (0.53) TACR1KDM4E
SCHEMBL6540941 0.82 TACR1 (0.56) TACR1KDM4E
Hydrochloric Acid SCHEMBL6541421 0.82 TACR1 (0.62) TACR1HCRTR1HCRTR2KDM4ETSHR
SCHEMBL6541215 0.82 KDM4E (0.55) TACR1KDM4ETSHR

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-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 US disclosed
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 EP disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885HCRTR1 103/4885HCRTR2 153/4885

“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.