SCHEMBL6478424

SCHEMBL6478424

COc1ccccc1C(CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(C2CCCCCC2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.74
CCR3 P51677 7/20 0.63

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
SCHEMBL7986183 1.00 TACR1 (0.74) TACR1CCR3
SCHEMBL7934839 0.99 TACR1 (0.73) TACR1CCR3
SCHEMBL7926175 0.98 TACR1 (0.72) TACR1CCR3
SCHEMBL9055871 0.93 TACR1 (0.74) TACR1CCR3
SCHEMBL7932594 0.91 CCR3 (0.76) TACR1CCR3
SCHEMBL7926005 0.91 CCR3 (0.76) TACR1CCR3
SCHEMBL7934765 0.89 TACR1 (0.74) TACR1CCR3
SCHEMBL7934814 0.89 TACR1 (0.60) TACR1CCR3
SCHEMBL9054676 0.88 TACR1 (0.58) TACR1CCR3
SCHEMBL7932651 0.87 TACR1 (0.67) TACR1CCR3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916797-B2 α-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2005-07-12 US disclosed
US-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2003-11-27 US disclosed
EP-1110958-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists UCB, S.A. (BE) 2001-06-27 EP disclosed
US-6191135-B1 Neurokinin antagonists BOEHRINGER INGELHEIM KG (DE) 2001-02-20 US disclosed
US-5985881-A TREATMENT AND PREVENTION OF RESPIRATORY DISORDERS, INFLAMMATORY EYE DISEASES, INFLAMMATORY SKIN DISEASES, INTESTINAL DISORDERS, OTHER INFLAMMATORY DISEASES BOEHRINGER INGELHEIM KG (DE) 1999-11-16 US disclosed
WO-1996008480-A1 NEUROKININ ANTAGONISTS BOEHRINGER INGELHEIM KG (DE) 1996-03-21 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-20030220323-A1 Alpha-arylethylpiperazine derivatives as neurokinin antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CCR3 553/4885

“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.