SCHEMBL4117922

SCHEMBL4117922

Cc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2CNCCC3)C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
HDAC4 P56524 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC1 Q13547 2/20 0.33
LMNA P02545 2/20 0.33
HDAC2 Q92769 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
TP53 P04637 4/20 0.32
THRB P10828 1/20 0.32
RIPK1 Q13546 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
POLB P06746 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
RPS6KA3 P51812 1/20 0.32
IDH1 O75874 2/20 0.31

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
SCHEMBL4117926 1.00 CNR2 (0.36) CNR2HDAC4HDAC6HDAC1LMNA
SCHEMBL4122259 0.89 CNR2 (0.35) CNR2RIPK1RPS6KA2RPS6KA3
SCHEMBL4122263 0.89 CNR2 (0.35) CNR2RIPK1RPS6KA2RPS6KA3
SCHEMBL10091050 0.89 TP53 (0.43) LMNATP53THRBADORA3ADORA2A
SCHEMBL1174154 0.88 CNR2 (0.46) CNR2LMNATP53THRBRIPK1
SCHEMBL1174150 0.88 CNR2 (0.46) CNR2LMNATP53THRBRIPK1
SCHEMBL4121091 0.88 CNR2 (0.37) CNR2TP53THRBRIPK1RPS6KA2
SCHEMBL4121083 0.88 CNR2 (0.37) CNR2TP53THRBRIPK1RPS6KA2
SCHEMBL10090971 0.88 TP53 (0.44) LMNATP53THRBADORA3ADORA2A
SCHEMBL1174989 0.87 CNR2 (0.36) CNR2TP53RIPK1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885HDAC4 1681/4885HDAC6 1137/4885

“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.