SCHEMBL4637808

SCHEMBL4637808

Cc1noc(-c2ccccc2Cl)c1C(=O)c1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.39
USP2 O75604 3/20 0.38
CYP2D6 P10635 1/20 0.38
EPAS1 Q99814 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35

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
SCHEMBL4637919 0.90 TACR1 (0.37) TACR1GPBAR1
SCHEMBL4637943 0.83 GPBAR1 (0.37) TACR1GPBAR1
SCHEMBL4637980 0.81 IDH1 (0.36) TACR1GPBAR1
SCHEMBL4637977 0.81 S1PR1 (0.34) TACR1CYP3A4
SCHEMBL4638510 0.80 USP2 (0.40) TACR1USP2CYP2D6EPAS1CYP3A4
SCHEMBL4637743 0.79 IDH1 (0.35) GPBAR1
SCHEMBL14144554 0.76 USP2 (0.38) TACR1USP2CYP2D6EPAS1CYP3A4
SCHEMBL4639351 0.76 USP2 (0.39) TACR1USP2CYP2D6EPAS1CYP3A4
SCHEMBL4637947 0.76 USP2 (0.36) TACR1USP2CYP2D6EPAS1CYP3A4
SCHEMBL4637805 0.75 GAA (0.52) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US disclosed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 TACR1 2/4885USP2 4458/4885CYP2D6 2689/4885

“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.