SCHEMBL1779826

SCHEMBL1779826

Cc1c[nH]nc1C(=O)N[C@@H](C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.51
ROCK1 Q13464 2/20 0.51
ALDH1A1 P00352 9/20 0.49
LMNA P02545 3/20 0.49
MAPK1 P28482 3/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
RPS6KA5 O75582 1/20 0.47
MAP4K4 O95819 1/20 0.47
CDK1 P06493 1/20 0.47
CSF1R P07333 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
RPS6KB1 P23443 1/20 0.47

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
SCHEMBL1781134 1.00 ROCK2 (0.51) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL27490296 0.79 ROCK1 (0.60) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL2158149 0.76 HPGD (0.51) ALDH1A1LMNAPOLBHPGDKDM4E
SCHEMBL8261087 0.76 ROCK2 (0.47) ROCK2ROCK1ALDH1A1LMNAPOLB
SCHEMBL14329840 0.74 MAPT (0.61) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL21756727 0.72 NPC1 (0.52) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL21756726 0.72 NPC1 (0.52) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL21756730 0.72 NPC1 (0.52) ROCK2ROCK1ALDH1A1LMNAMAPK1
SCHEMBL16348943 0.72 ALDH1A1 (0.71) ALDH1A1LMNAPOLBHPGDKDM4E
SCHEMBL12461860 0.72 ALDH1A1 (0.71) ALDH1A1LMNAPOLBHPGDKDM4E

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-20110178148-A1 SUBSTITUTED 5-VINYLPHENYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-07-21 US disclosed
US-7943653-B2 Substituted 5-vinylphenyl-1-phenyl-pyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2011-05-17 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-20110178148-A1 SUBSTITUTED 5-VINYLPHENYL-1-PHENYL-PYRAZOLE CANNABINOID MODULATORS CNR1, CNR2, GPR18 ROCK2 4025/4885ROCK1 3522/4885ALDH1A1 2128/4885

“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.