SCHEMBL10091022

SCHEMBL10091022

CC1CCn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](CO)C(C)(C)C)c2CN1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
JAK2 O60674 2/20 0.38
NTRK1 P04629 2/20 0.38
CHRM3 P20309 4/20 0.35
LMNA P02545 2/20 0.34
WNT1 P04628 1/20 0.34
DYRK1A Q13627 1/20 0.34
RORC P51449 3/20 0.34
ACKR3 P25106 1/20 0.33
MCHR1 Q99705 1/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL10091083 0.92 CNR2 (0.39) CNR2JAK2NTRK1CHRM3LMNA
SCHEMBL4119853 0.86 CNR2 (0.55) CNR2JAK2NTRK1CHRM3LMNA
SCHEMBL4126162 0.86 CNR2 (0.55) CNR2JAK2NTRK1CHRM3LMNA
SCHEMBL4119856 0.86 CNR2 (0.55) CNR2JAK2NTRK1CHRM3LMNA
SCHEMBL342663 0.85 CNR2 (0.57) CNR2
SCHEMBL342662 0.85 CNR2 (0.57) CNR2
SCHEMBL10091015 0.85 CNR2 (0.57) CNR2
SCHEMBL13292817 0.85 CNR2 (0.43) CNR2CHRM3LMNAWNT1DYRK1A
SCHEMBL13292819 0.85 CNR2 (0.43) CNR2CHRM3LMNAWNT1DYRK1A
SCHEMBL10091028 0.85 CNR2 (0.47) CNR2CHRM3LMNAWNT1DYRK1A

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 CNR2 2/4885JAK2 843/4885NTRK1 268/4885

“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.