SCHEMBL4637774

SCHEMBL4637774

Cc1c(C(=O)c2cnn(C)c2-c2ccccc2Cl)nnn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.41
CCR1 P32246 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
GRM2 Q14416 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
IDH1 O75874 1/20 0.35
HSD11B1 P28845 1/20 0.35
AKR1C3 P42330 2/20 0.35
KLKB1 P03952 1/20 0.35
TP53 P04637 2/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 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
SCHEMBL4639448 0.86 IDH1 (0.49) TACR1GRM2GPBAR1IDH1
SCHEMBL4639387 0.84 TACR1 (0.42) TACR1CCR1HTR2ADRD2DRD4
SCHEMBL5797524 0.77 ALDH1A1 (0.50) TACR1GRM2GPBAR1AKR1C3TP53
SCHEMBL5797387 0.77 CYP19A1 (0.57) TACR1GRM2TP53MAPT
SCHEMBL4638919 0.76 TACR1 (0.48) TACR1GRM2GPBAR1IDH1
SCHEMBL4758302 0.76 TACR1 (0.37) TACR1GRM2GPBAR1AKR1C3TP53
SCHEMBL4707521 0.75 TACR1 (0.37) TACR1CCR1GRM2GPBAR1TP53
SCHEMBL4705619 0.74 TACR1 (0.36) TACR1GRM2GPBAR1TP53MAPT
SCHEMBL4638855 0.74 EPAS1 (0.50) TACR1GRM2GPBAR1AKR1C3TP53
SCHEMBL4705246 0.74 TACR1 (0.36) TACR1CCR1GPBAR1TP53MAPT

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 8 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
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 2/4885CCR1 297/4885HTR2A 691/4885

“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.