SCHEMBL4121874

SCHEMBL4121874

CN1CCCn2c(-c3cc(Cl)ccc3F)nc(C(=O)NC(C(=O)N3CCN(S(C)(=O)=O)CC3)C(C)(C)C)c2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.52
ALDH1A1 P00352 2/20 0.35
CCR1 P32246 2/20 0.35
RORC P51449 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
CNR1 P21554 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
DPP4 P27487 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
GPR6 P46095 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
SCHEMBL4121873 1.00 CNR2 (0.52) CNR2ALDH1A1CCR1RORCTP53
SCHEMBL4122007 0.92 CNR2 (0.58) CNR2CCR1RORCTP53THRB
SCHEMBL4122003 0.92 CNR2 (0.58) CNR2CCR1RORCTP53THRB
SCHEMBL4130339 0.91 CNR2 (0.57) CNR2CCR1RORCTP53THRB
SCHEMBL4130336 0.91 CNR2 (0.57) CNR2CCR1RORCTP53THRB
SCHEMBL4123160 0.91 CNR2 (0.57) CNR2CCR1RORCTP53THRB
SCHEMBL4115433 0.88 CNR2 (0.54) CNR2ALDH1A1CCR1RORCTP53
SCHEMBL4115431 0.88 CNR2 (0.54) CNR2ALDH1A1CCR1RORCTP53
SCHEMBL4120583 0.88 CNR2 (0.52) CNR2CCR1CNR1DPP4MAPT
SCHEMBL4120576 0.88 CNR2 (0.52) CNR2CCR1CNR1DPP4MAPT

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 2/4885ALDH1A1 1759/4885CCR1 39/4885

“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.