SCHEMBL343270

SCHEMBL343270

CC(C)(C)OC(=O)C1CCN(C(=O)OC(C)(C)C)CCN1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.47
EPHX1 P07099 1/20 0.47
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 6/20 0.44
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL19201225 0.88 HPGD (0.49) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL2392691 0.88 USP2 (0.44) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL30289051 0.88 USP2 (0.44) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL26959276 0.83 HPGD (0.53) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL6971721 0.83 HPGD (0.53) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL17784898 0.83 HPGD (0.53) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL14452943 0.81 HPGD (0.44) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL14959559 0.81 HPGD (0.44) HPGDRECQLEPHX1MAPTKDM4E
SCHEMBL7379626 0.80 MAPK1 (0.36) HPGDMAPK1
SCHEMBL22152561 0.80 MAPK1 (0.36) HPGDMAPK1

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 6 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
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 HPGD 831/4885RECQL 2612/4885EPHX1 499/4885

“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.