SCHEMBL343940

SCHEMBL343940

CC1(C)C=NC(=O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.48
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GPR119 Q8TDV5 4/20 0.36
ESR2 Q92731 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP30 Q70CQ3 1/20 0.36
BUB1 O43683 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
RORC P51449 2/20 0.36
CTSD P07339 1/20 0.35
CTSE P14091 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4133887 0.73 USP2 (0.46) NR1H2MAPTALDH1A1LMNAGPR119
SCHEMBL29721480 0.72 ESR2 (0.41) NR1H2MAPTGPR119ESR2USP2
SCHEMBL23580046 0.72 NR1H2 (0.55) NR1H2MAPTALDH1A1LMNAESR2
SCHEMBL8775525 0.72 NR1H2 (0.48) NR1H2MAPTESR2USP2SMN1; SMN2
SCHEMBL22620481 0.72 NR1H2 (0.45) NR1H2MAPTALDH1A1LMNAESR2
SCHEMBL17107652 0.70 NR1H2 (0.46) NR1H2MAPTESR2USP2SMN1; SMN2
SCHEMBL8134162 0.70 NR1H2 (0.46) NR1H2MAPTALDH1A1LMNAESR2
SCHEMBL343081 0.69 NR1H2 (0.36) NR1H2ALDH1A1GPR119ESR2BUB1
SCHEMBL31084288 0.69 NR1H2 (0.43) NR1H2MAPTALDH1A1LMNAGPR119
SCHEMBL28797751 0.69 NR1H2 (0.45) NR1H2MAPTALDH1A1LMNAGPR119

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 3 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-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 NR1H2 8/4885MAPT 2962/4885ALDH1A1 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.