SCHEMBL4132078

SCHEMBL4132078

CON(C)C(=O)C(N)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.47
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL6758660 1.00 DPP4 (0.47) DPP4FAAHALDH1A1MAPTPTGS1
SCHEMBL5103035 0.77 DPP4 (0.53) DPP4ALDH1A1MAPTPTGS1
SCHEMBL4956827 0.77 DPP4 (0.53) DPP4ALDH1A1MAPTPTGS1
SCHEMBL18099957 0.76 FAAH (0.39) DPP4FAAH
SCHEMBL7276777 0.76 DPP4 (0.46) DPP4FAAH
SCHEMBL22952874 0.76 DPP4 (0.46) DPP4FAAH
SCHEMBL7276787 0.76 DPP4 (0.46) DPP4FAAH
SCHEMBL6610087 0.75 SLC7A5 (0.34) DPP4FAAHALDH1A1MAPTPTGS1
SCHEMBL8941385 0.75
SCHEMBL19770803 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed
US-6716878-B1 BACTERICIDE, ANTIPROTOZOAL; VANCOMYCIN RESISTANT ENTEROCOCCI AND BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA, METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS; HYDROXAMIC ACID AND N-FORMYL SUBTITUTED ALKYLAMIDES VERNALIS (OXFORD) LIMITED (GB) 2004-04-06 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 DPP4 4359/4885FAAH 6/4885ALDH1A1 1759/4885

“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.