SCHEMBL4639409

SCHEMBL4639409

O=C(c1nn[nH]c1-c1ccccc1Cl)c1nnn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.39
EPAS1 Q99814 1/20 0.38
GRM2 Q14416 1/20 0.36
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 1/20 0.35
GPBAR1 Q8TDU6 7/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4638855 0.86 EPAS1 (0.50) TACR1EPAS1GRM2AKR1C3AKR1C2
SCHEMBL4638586 0.84 TACR1 (0.42) TACR1EPAS1GRM2GPBAR1
SCHEMBL4638510 0.77 USP2 (0.40) TACR1EPAS1GRM2GPBAR1TP53
SCHEMBL5797524 0.76 ALDH1A1 (0.50) TACR1GRM2AKR1C3AKR1C2GPBAR1
SCHEMBL4707134 0.76 EPAS1 (0.40) TACR1EPAS1GRM2GPBAR1TP53
SCHEMBL4705059 0.76 TACR1 (0.36) TACR1EPAS1GRM2AKR1C3AKR1C2
SCHEMBL4637929 0.76 HPGD (0.45) AKR1C3AKR1C2TP53MAPTSMN1; SMN2
SCHEMBL4708206 0.75 TACR1 (0.35) TACR1EPAS1GRM2AKR1C3AKR1C2
SCHEMBL4637951 0.74 TACR1 (0.35) TACR1EPAS1GRM2GPBAR1GAA
SCHEMBL4639431 0.74 TACR1 (0.35) TACR1GRM2GPBAR1GAA

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-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 2/4885EPAS1 2885/4885GRM2 1240/4885

“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.