SCHEMBL7112396

SCHEMBL7112396

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1occ2ccccc12)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.77

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
SCHEMBL2139820 1.00 TACR1 (0.77) TACR1
SCHEMBL9387393 0.87 TACR1 (0.81) TACR1
SCHEMBL8203286 0.87 TACR1 (0.81) TACR1
SCHEMBL8101033 0.85 TACR1 (0.78) TACR1
SCHEMBL8197471 0.85 TACR1 (1.00) TACR1
SCHEMBL8197474 0.85 TACR1 (1.00) TACR1
SCHEMBL8109904 0.85 TACR1 (0.82) TACR1
SCHEMBL8109903 0.85 TACR1 (0.82) TACR1
SCHEMBL7847110 0.84 TACR1 (1.00) TACR1
SCHEMBL6827800 0.84 TACR1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome FARBER LOTHAR (DE) 2003-05-15 US disclosed
US-6258800-B1 Prodrugs of benzofuranylethyl carbamate NK1 antagonists WARNER-LAMBERT COMPANY 2001-07-10 US disclosed
EP-1075472-A1 PRODRUGS OF BENZOFURANYLMETHYL CARBAMATE NK 1? ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-02-14 EP disclosed
WO-1999052903-A1 PRODRUGS OF BENZOFURANYLMETHYL CARBAMATE NK1 ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-10-21 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-20030092735-A1 Use of substance P antagonists for the treatment of chronic fatigue syndrome and/or fibromyalgia and use of NK-1 receptor antagonists for the treatment of chronic fatigue syndrome TACR1, NPSR1, NPFFR1 TACR1 1/4885

“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.