SCHEMBL4126162

SCHEMBL4126162

CN1CCCn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](CO)C(C)(C)C)c2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.55
LMNA P02545 3/20 0.39
JAK2 O60674 2/20 0.38
NTRK1 P04629 2/20 0.38
TP53 P04637 7/20 0.37
THRB P10828 5/20 0.37
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM3 P20309 1/20 0.34
BLM P54132 1/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 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
SCHEMBL4119853 1.00 CNR2 (0.55) CNR2LMNAJAK2NTRK1TP53
SCHEMBL4119856 1.00 CNR2 (0.55) CNR2LMNAJAK2NTRK1TP53
SCHEMBL4121686 0.91 CNR2 (0.53) CNR2LMNATP53THRBGAA
SCHEMBL4121684 0.91 CNR2 (0.53) CNR2LMNATP53THRBGAA
SCHEMBL4113822 0.88 CNR2 (0.51) CNR2JAK2NTRK1GAACHRM3
SCHEMBL10091034 0.88 LMNA (0.50) LMNATP53THRBGAAPOLB
SCHEMBL4108079 0.88 CNR2 (0.51) CNR2JAK2NTRK1GAACHRM3
SCHEMBL4108077 0.88 CNR2 (0.51) CNR2JAK2NTRK1GAACHRM3
SCHEMBL342493 0.87 LMNA (0.51) LMNATP53THRBGAAPOLB
SCHEMBL342494 0.87 LMNA (0.51) LMNATP53THRBGAAPOLB

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 (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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885LMNA 3582/4885JAK2 453/4885

“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.