SCHEMBL5400717

SCHEMBL5400717

Cc1cc(F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.53
SIGMAR1 Q99720 2/20 0.46
CYP3A4 P08684 1/20 0.46
PTAFR P25105 1/20 0.45

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
SCHEMBL6260036 0.90 TACR1 (0.56) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL5390778 0.82 TACR1 (0.62) TACR1CYP3A4
SCHEMBL20530591 0.80 TACR1 (0.78) TACR1CYP3A4
SCHEMBL13948996 0.80 TACR1 (0.78) TACR1CYP3A4
SCHEMBL13948998 0.80 TACR1 (0.78) TACR1CYP3A4
SCHEMBL13948997 0.80 TACR1 (0.78) TACR1CYP3A4
SCHEMBL20599311 0.80 TACR1 (0.68) TACR1SIGMAR1CYP3A4PTAFR
SCHEMBL3804448 0.79 SMN1; SMN2 (0.46)
SCHEMBL5398236 0.78 TACR1 (0.57) TACR1CYP3A4
SCHEMBL13949030 0.78 TACR1 (0.67) TACR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D TACR1 49/4885SIGMAR1 106/4885CYP3A4 996/4885

“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.