SCHEMBL5633004

SCHEMBL5633004

Nc1cnnc(-c2ccccc2Cl)c1C(=O)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.37
GPBAR1 Q8TDU6 14/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 1/20 0.36
CDC7 O00311 1/20 0.34
GAA P10253 1/20 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
SCHEMBL4637709 0.94 ALDH1A1 (0.42) IDH1ALDH1A1TSHRGRM2GAA
SCHEMBL4705403 0.86 RORB (0.41) IDH1GPBAR1GRM2CDC7
SCHEMBL4638005 0.81 GPBAR1 (0.40) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4705766 0.81 ALDH1A1 (0.37) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4639379 0.80 ALDH1A1 (0.38) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4705450 0.80 RORB (0.42) ALDH1A1TSHRGRM2CDC7GAA
SCHEMBL6385074 0.80 GPBAR1 (0.39) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4638055 0.79 ALDH1A1 (0.38) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL4709658 0.79 ALDH1A1 (0.38) IDH1GPBAR1ALDH1A1TSHRGRM2
SCHEMBL6389497 0.79 IDH1 (0.42) IDH1GPBAR1CDC7

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-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 IDH1 4314/4885GPBAR1 101/4885ALDH1A1 1988/4885

“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.