SCHEMBL10091055

SCHEMBL10091055

CC(C)(C)NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1CCCC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TP53 P04637 11/20 0.52
LMNA P02545 4/20 0.52
POLB P06746 2/20 0.51
THRB P10828 5/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
MAPT P10636 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
SCHEMBL10090958 0.99 GAA (0.54) GAATP53LMNAPOLBTHRB
SCHEMBL10091049 0.88 CNR2 (0.49) GAATP53LMNAPOLBTHRB
SCHEMBL10090963 0.87 CNR2 (0.49) GAATP53LMNAPOLBTHRB
SCHEMBL10090994 0.86 GRM2 (0.50)
SCHEMBL10091016 0.85 TP53 (0.40) GAATP53LMNAPOLBTHRB
SCHEMBL342551 0.84 RORC (0.53) GAATP53LMNAPOLBTHRB
SCHEMBL10091034 0.83 LMNA (0.50) GAATP53LMNAPOLBTHRB
SCHEMBL10091074 0.83 GRM2 (0.42) LMNAPOLB
SCHEMBL342852 0.83 GAA (0.54) GAATP53LMNAPOLBTHRB
SCHEMBL342493 0.82 LMNA (0.51) GAATP53LMNAPOLBTHRB

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 GAA 4374/4885TP53 4265/4885LMNA 4601/4885

“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.