SCHEMBL4637862

SCHEMBL4637862

O=C(C=Cc1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-c1ccccc1)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 3/20 0.37
TACR1 P25103 5/20 0.37
GPR52 Q9Y2T5 1/20 0.37
GRM2 Q14416 1/20 0.37
RORC P51449 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.35
TSHR P16473 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGER4 P35408 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4637789 0.90 ALDH1A1 (0.39) GAAALDH1A1ADORA3TACR1GRM2
SCHEMBL4637866 0.82 ALDH1A1 (0.45) GAAALDH1A1ADORA3GRM2CYP19A1
SCHEMBL4638013 0.79 ALDH1A1 (0.44) GAAALDH1A1ADORA3TACR1GRM2
SCHEMBL14144376 0.78 CYP1A1 (0.46) GAAALDH1A1ADORA3CYP19A1TSHR
SCHEMBL4637820 0.77 GAA (0.40) GAAALDH1A1ADORA3TACR1GRM2
SCHEMBL4705254 0.77 ALDH1A1 (0.41) GAAALDH1A1ADORA3TACR1GRM2
SCHEMBL14144837 0.76 ALDH1A1 (0.44) GAAALDH1A1ADORA3GRM2MEN1
SCHEMBL4637793 0.76 ALDH1A1 (0.44) GAAALDH1A1ADORA3GRM2MEN1
SCHEMBL4638473 0.75 ALDH1A1 (0.65) GAAALDH1A1ADORA3GRM2CYP19A1
SCHEMBL4706776 0.74 ALDH1A1 (0.54) GAAALDH1A1ADORA3GRM2CYP19A1

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 10 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 claimed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US claimed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 US claimed
EP-1501808-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP claimed
WO-2003091227-A1 TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO claimed
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-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 GAA 1920/4885ALDH1A1 1988/4885ADORA3 485/4885

“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.