SCHEMBL13798573

SCHEMBL13798573

CCOC(OCC)c1nc[nH]c1C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
GABRR1 P24046 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
FDPS P14324 1/20 0.30
LRRK2 Q5S007 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL11107347 0.75 HTT (0.39) HRH2HRH1HRH4HRH3TDP1
SCHEMBL12342223 0.72 HRH2 (0.38) HRH2HRH1HRH4HRH3TDP1
SCHEMBL2627829 0.70
SCHEMBL25027769 0.68 HRH2 (0.35) HRH2HRH1HRH4HRH3TDP1
SCHEMBL7015419 0.65 KDM4E (0.54) L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8389482 0.64
SCHEMBL11010296 0.63 KDM4E (0.53) GABRR1KDM4ESMN1; SMN2TP53
SCHEMBL10547140 0.63 CYP19A1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL11228692 0.63 HRH2 (0.46) HRH2HRH1HRH4HRH3TDP1
SCHEMBL955339 0.63 FPR2 (0.38) KDM4ESMN1; SMN2

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-7517874-B2 Substituted imidazo[1,5-a][1,4]diazepines and imidazo[1,5-a]pyrazines as cannabinoid receptor agonists for the treatment of pain CARA THERAPEUTICS, INC. (US) 2009-04-14 US disclosed
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2008-12-25 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 (2 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 HRH2 9/4885HRH1 10/4885HRH4 7/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 HRH2 9/4885HRH1 10/4885HRH4 7/4885

“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.