SCHEMBL10091033

SCHEMBL10091033

CNC(=O)[C@@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CN(C)C(C)CC2)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
SLC10A1 Q14973 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCR1 P32246 1/20 0.35
MMP13 P45452 9/20 0.35
HSP90AA1 P07900 1/20 0.34
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL10091090 0.91 CNR2 (0.42) CNR2SLC10A1ALDH1A1POLBTDP1
SCHEMBL342663 0.90 CNR2 (0.57) CNR2
SCHEMBL342662 0.90 CNR2 (0.57) CNR2
SCHEMBL10091015 0.90 CNR2 (0.57) CNR2
SCHEMBL10091032 0.88 CNR2 (0.43) CNR2
SCHEMBL10091027 0.86 CNR2 (0.50) CNR2WNT1DYRK1A
SCHEMBL10091031 0.84 CNR2 (0.48) CNR2WNT1DYRK1ABRD4CREBBP
SCHEMBL10091022 0.84 CNR2 (0.40) CNR2WNT1DYRK1A
SCHEMBL10091030 0.83 CNR2 (0.47) CNR2ALDH1A1TDP1WNT1DYRK1A
SCHEMBL10091057 0.83 POLB (0.47) CNR2SLC10A1POLB

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 2/4885SLC10A1 1074/4885ALDH1A1 2862/4885

“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.