SCHEMBL4313069

SCHEMBL4313069

CC1=C(C(=O)NC2=CN(Cl)CN2)C(c2ccc(Cl)cc2F)CC(=O)N1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.42
ADRA1A P35348 6/20 0.37
ADRA1D P25100 5/20 0.37
ADRA1B P35368 5/20 0.37
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
HRH1 P35367 3/20 0.36
FPR1 P21462 6/20 0.35
FPR2 P25090 5/20 0.35
P2RX7 Q99572 2/20 0.34
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL3886406 0.79 GPBAR1 (0.49) GPBAR1ADRA1AADRA1DADRA1BADRA2A
SCHEMBL3889971 0.79 GPBAR1 (0.67) GPBAR1LMNA
SCHEMBL4324693 0.76 ROCK1 (0.54) GPBAR1CYP3A4
SCHEMBL3860919 0.76 ROCK1 (0.54) CYP3A4
SCHEMBL3887155 0.76 LRRK2 (0.43) GPBAR1CYP3A4
SCHEMBL3887046 0.76 JAK2 (0.40) GPBAR1CYP3A4
SCHEMBL3884454 0.67 ROCK1 (0.41)
SCHEMBL4322087 0.65 MAPK1 (0.41) GPBAR1ADRA1AADRA1DADRA1BADRA2A
SCHEMBL3884743 0.65 ROCK1 (0.59) GPBAR1ADRA1AADRA1DADRA1BP2RX7
SCHEMBL3889088 0.65 GPBAR1 (0.53) GPBAR1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US 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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 GPBAR1 2826/4885ADRA1A 3436/4885ADRA1D 2766/4885

“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.