SCHEMBL3911976

SCHEMBL3911976

COC(=O)[C@@H](N)Cc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.47
FAP Q12884 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
PPARG P37231 7/20 0.46
PPARA Q07869 1/20 0.46
POLQ O75417 1/20 0.46
IDO1 P14902 2/20 0.45
EPHX2 P34913 7/20 0.45
DPP7 Q9UHL4 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL18305224 1.00 DPP4 (0.47) DPP4FAPDPP8DPP9PPARG
Hydrochloric Acid SCHEMBL4245415 0.99 DPP4 (0.46) DPP4FAPDPP8DPP9PPARG
Hydrochloric Acid SCHEMBL4245412 0.99 DPP4 (0.46) DPP4FAPDPP8DPP9PPARG
SCHEMBL20543670 0.87 EPHX2 (0.52) DPP4FAPDPP8DPP9PPARG
SCHEMBL10557816 0.86 DPP4 (0.46) DPP4FAPDPP8DPP9PPARG
Hydrochloric Acid SCHEMBL31407810 0.84 DPP4 (0.46) DPP4FAPDPP8DPP9PPARG
SCHEMBL28019827 0.84 PPARG (0.47) PPARGPPARAPOLQIDO1EPHX2
SCHEMBL3850583 0.83 PTGS2 (0.46) KDM4EALDH1A1
SCHEMBL503201 0.81 PPARG (0.53) DPP4FAPDPP8DPP9PPARG
SCHEMBL42976 0.81 PPARG (0.53) DPP4FAPDPP8DPP9PPARG

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-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
EP-2027096-B1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer Pharma AG (DE) 2012-05-23 EP disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
EP-2027096-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS Bayer HealthCare AG (DE) 2009-02-25 EP disclosed
WO-2007134862-A1 SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER HEALTHCARE AG (DE) 2007-11-29 WO 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 (2 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B DPP4 324/4885FAP 2343/4885DPP8 401/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B DPP4 324/4885FAP 2343/4885DPP8 401/4885

“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.