SCHEMBL4638005

SCHEMBL4638005

CC(C)(O)c1onc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 6/20 0.40
MAPT P10636 3/20 0.39
RECQL P46063 1/20 0.39
EPAS1 Q99814 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
GRM2 Q14416 1/20 0.35
IDH1 O75874 1/20 0.34
TACR1 P25103 1/20 0.34
CYP19A1 P11511 2/20 0.34

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
SCHEMBL4637959 0.93 CNR1 (0.34) GPBAR1TSHRALDH1A1GRM2IDH1
SCHEMBL4637782 0.92 IDH1 (0.42) GPBAR1MAPTRECQLEPAS1TSHR
SCHEMBL4638539 0.88 IDH1 (0.40) GPBAR1MAPTRECQLEPAS1TSHR
SCHEMBL4639476 0.87 GPBAR1 (0.38) GPBAR1MAPTRECQLTSHRALDH1A1
SCHEMBL6385074 0.86 GPBAR1 (0.39) GPBAR1MAPTRECQLEPAS1TSHR
SCHEMBL4637701 0.86 GPBAR1 (0.38) GPBAR1MAPTRECQLEPAS1TSHR
SCHEMBL4706505 0.86 RORB (0.35) GPBAR1GRM2IDH1TACR1
SCHEMBL4639007 0.85 GPBAR1 (0.37) GPBAR1MAPTRECQLEPAS1TSHR
SCHEMBL4639003 0.84 CNR1 (0.33) GPBAR1TSHRALDH1A1IDH1CYP19A1
SCHEMBL4706457 0.82 ALDH1A1 (0.44) GPBAR1MAPTRECQLEPAS1TSHR

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 5 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

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 GPBAR1 101/4885MAPT 3592/4885RECQL 4409/4885

“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.