SCHEMBL10091031

SCHEMBL10091031

CC1CCn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)(C)C)c2CN1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
CSNK1E P49674 1/20 0.35
CNR1 P21554 3/20 0.35
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.32
CHRM3 P20309 3/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
HMGCR P04035 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
MCHR1 Q99705 1/20 0.31
KCNA5 P22460 1/20 0.31
GRM5 P41594 1/20 0.30
RORC P51449 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10091089 0.92 CNR2 (0.47) CNR2CSNK1ECNR1WNT1DYRK1A
SCHEMBL342663 0.92 CNR2 (0.57) CNR2CNR1
SCHEMBL342662 0.92 CNR2 (0.57) CNR2CNR1
SCHEMBL10091015 0.92 CNR2 (0.57) CNR2CNR1
SCHEMBL10091027 0.92 CNR2 (0.50) CNR2CNR1WNT1DYRK1ALMNA
SCHEMBL10091030 0.91 CNR2 (0.47) CNR2CNR1WNT1DYRK1ALMNA
SCHEMBL10091028 0.90 CNR2 (0.47) CNR2CSNK1ECNR1WNT1DYRK1A
SCHEMBL10091026 0.89 CNR2 (0.49) CNR2CSNK1ECNR1WNT1DYRK1A
SCHEMBL10091018 0.89 CNR2 (0.46) CNR2CNR1WNT1DYRK1ALMNA
SCHEMBL10091037 0.89 CSNK1E (0.40) CNR2CSNK1ECNR1WNT1DYRK1A

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 4 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

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 2/4885CSNK1E 184/4885CNR1 1/4885

“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.