SCHEMBL12867478

SCHEMBL12867478

CNC(=O)C(N)C(C)(C)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTGS1 P23219 1/20 0.34
DPP4 P27487 2/20 0.34
FAP Q12884 1/20 0.34
PITRM1 Q5JRX3 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL8202933 1.00 MAPT (0.34) MAPTALDH1A1PTGS1DPP4FAP
SCHEMBL8426774 1.00 MAPT (0.34) MAPTALDH1A1PTGS1DPP4FAP
Hydrochloric Acid SCHEMBL1174259 0.98 DPP4 (0.33) MAPTALDH1A1PTGS1DPP4FAP
SCHEMBL25600609 0.83 MAPT (0.31) MAPTALDH1A1PTGS1DPP4
SCHEMBL17617087 0.83 MAPT (0.31) MAPTALDH1A1PTGS1DPP4
SCHEMBL19009024 0.83 MAPT (0.31) MAPTALDH1A1PTGS1DPP4
SCHEMBL1174655 0.80 DPP4 (0.50) MAPTALDH1A1PTGS1DPP4FAP
SCHEMBL342534 0.80 DPP4 (0.50) MAPTALDH1A1PTGS1DPP4FAP
SCHEMBL343358 0.80 DPP4 (0.50) MAPTALDH1A1PTGS1DPP4FAP
Trifluoroacetic Acid SCHEMBL7399856 0.79 DPP4 (0.42) MAPTALDH1A1PTGS1DPP4DPP8

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
EP-2170350-B1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS INC (US) 2013-09-11 EP 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-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 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-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-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
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 (3 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 MAPT 3004/4885ALDH1A1 1759/4885PTGS1 197/4885
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 MAPT 2485/4885ALDH1A1 2355/4885PTGS1 297/4885
US-20080318935-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 MAPT 3004/4885ALDH1A1 1759/4885PTGS1 197/4885

“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.