SCHEMBL7463549

SCHEMBL7463549

O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC#CCN2CCOCC2)C[C@H]1Cc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.51

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 SCHEMBL7463514 0.99 TACR1 (0.50) TACR1
SCHEMBL7469741 0.91 TACR1 (0.54) TACR1
Hydrochloric Acid SCHEMBL7580473 0.91 TACR1 (0.53) TACR1
SCHEMBL7467410 0.90 TACR1 (0.47) TACR1
SCHEMBL6133052 0.90 TACR1 (0.47) TACR1
Hydrochloric Acid SCHEMBL7555292 0.89 TACR1 (0.46) TACR1
Hydrochloric Acid SCHEMBL6132868 0.89 TACR1 (0.43) TACR1
SCHEMBL7470172 0.88 TACR1 (0.48) TACR1
Hydrochloric Acid SCHEMBL6133414 0.88 TACR1 (0.43) TACR1
Hydrochloric Acid SCHEMBL6133416 0.88 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873320-B1 PIPERAZINE DERIVATIVES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2002-06-12 EP claimed
US-20020010182-A1 Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-24 US claimed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US 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-20020010182-A1 Piperazine derivatives as tachykinin antagonists PKD2, SSTR5, TAC3 TACR1 5/4885

“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.