SCHEMBL4639387

SCHEMBL4639387

Cc1c(C(=O)c2cn(C)nc2-c2ccccc2Cl)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.42
PLA2G7 Q13093 1/20 0.38
MGLL Q99685 1/20 0.38
ABHD6 Q9BV23 1/20 0.38
GRM2 Q14416 1/20 0.37
HSD11B1 P28845 1/20 0.36
TP53 P04637 2/20 0.36
CCR1 P32246 1/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
MAPT P10636 2/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR2E1 Q9Y466 1/20 0.35
AVPR2 P30518 1/20 0.35
AVPR1A P37288 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPAS1 Q99814 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
SCHEMBL4637774 0.84 TACR1 (0.41) TACR1GRM2HSD11B1TP53CCR1
SCHEMBL4758302 0.77 TACR1 (0.37) TACR1GRM2TP53MAPTEPAS1
SCHEMBL4707521 0.76 TACR1 (0.37) TACR1GRM2TP53CCR1MAPT
SCHEMBL4705619 0.76 TACR1 (0.36) TACR1GRM2TP53MAPTSMN1; SMN2
SCHEMBL4638919 0.75 TACR1 (0.48) TACR1GRM2GAA
SCHEMBL4705246 0.75 TACR1 (0.36) TACR1TP53CCR1MAPTSMN1; SMN2
SCHEMBL5797524 0.75 ALDH1A1 (0.50) TACR1GRM2TP53MAPTSMN1; SMN2
SCHEMBL4638554 0.74 CCR1 (0.39) TACR1GRM2TP53CCR1DRD2
SCHEMBL5797387 0.74 CYP19A1 (0.57) TACR1GRM2TP53MAPTSMN1; SMN2
SCHEMBL4638855 0.74 EPAS1 (0.50) TACR1GRM2TP53MAPTHTT

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 2/4885PLA2G7 1723/4885MGLL 3852/4885

“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.