SCHEMBL4113752

SCHEMBL4113752

CN1CCCn2c(-c3cc(C(F)(F)F)ccc3F)nc(C(=O)NC(C(=O)NCCF)C(C)(C)C)c2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.55
CTSA P10619 3/20 0.35
CNR1 P21554 1/20 0.34
MDM2 Q00987 1/20 0.34
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
ENPP2 Q13822 1/20 0.32
LMNA P02545 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
EPHX2 P34913 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
SYK P43405 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL4113748 1.00 CNR2 (0.55) CNR2CTSACNR1MDM2TP53
SCHEMBL4115672 0.92 CNR2 (0.56) CNR2CTSACNR1MDM2TP53
SCHEMBL4115677 0.92 CNR2 (0.56) CNR2CTSACNR1MDM2TP53
SCHEMBL4120770 0.91 CNR2 (0.57) CNR2CTSACNR1TP53THRB
SCHEMBL4120766 0.91 CNR2 (0.57) CNR2CTSACNR1TP53THRB
SCHEMBL4108148 0.91 CNR2 (0.56) CNR2CTSACNR1TP53THRB
SCHEMBL4108150 0.91 CNR2 (0.56) CNR2CTSACNR1TP53THRB
SCHEMBL1174078 0.90 CNR2 (0.68) CNR2CTSACNR1TRPV4SYK
SCHEMBL1174080 0.90 CNR2 (0.68) CNR2CTSACNR1TRPV4SYK
SCHEMBL4121072 0.89 CNR2 (0.57) CNR2CNR1TP53THRBLMNA

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 2 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-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 2/4885CTSA 1914/4885CNR1 1/4885

“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.