SCHEMBL10091088

SCHEMBL10091088

CC1Cn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)NC3CC3)C(C)(C)C)c2CN1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.46
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
CYP2C9 P11712 7/20 0.34
NR1H4 Q96RI1 5/20 0.34
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK14 Q16539 5/20 0.34
CNR1 P21554 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GRIN2B Q13224 1/20 0.33
WDR5 P61964 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL10091030 0.93 CNR2 (0.47) CNR2WNT1DYRK1ACYP2C9NR1H4
SCHEMBL10091073 0.91 CNR2 (0.56) CNR2CNR1
SCHEMBL10091087 0.90 CNR2 (0.49) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL10091089 0.90 CNR2 (0.47) CNR2WNT1DYRK1ACNR1
SCHEMBL13292579 0.89 CNR2 (0.45) CNR2WNT1DYRK1AKCNH2CNR1
SCHEMBL10090991 0.89 CNR2 (0.46) CNR2CNR1
SCHEMBL10091086 0.87 CNR2 (0.44) CNR2WNT1DYRK1ACNR1
SCHEMBL10091085 0.87 CNR2 (0.49) CNR2CNR1GRIN2B
SCHEMBL10091084 0.87 CNR2 (0.43) CNR2WNT1DYRK1ACNR1WDR5
SCHEMBL342663 0.85 CNR2 (0.57) CNR2CNR1

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
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885WNT1 550/4885DYRK1A 787/4885

“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.