SCHEMBL3131950

SCHEMBL3131950

N[C@H](CO)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.47
DPP7 Q9UHL4 4/20 0.47
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 2/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
DPP8 Q6V1X1 2/20 0.41
DPP9 Q86TI2 1/20 0.41
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5225287 1.00 DPP4 (0.47) DPP4DPP7TAAR1IDO1CYP3A4
SCHEMBL7955916 1.00 DPP4 (0.47) DPP4DPP7TAAR1IDO1CYP3A4
Carbamic Acid SCHEMBL28108559 0.91 DPP4 (0.48) DPP4DPP7DPP8DPP9ALDH1A1
SCHEMBL5231615 0.85 DPP4 (0.49) DPP4DPP7TAAR1IDO1
SCHEMBL5231613 0.85 DPP4 (0.49) DPP4DPP7TAAR1IDO1
SCHEMBL7216586 0.82 TAAR1 (0.54) DPP4DPP7TAAR1IDO1CYP3A4
SCHEMBL4674867 0.82 TAAR1 (0.54) DPP4DPP7TAAR1IDO1CYP3A4
SCHEMBL7214170 0.80 TAAR1 (0.47) DPP4DPP7TAAR1IDO1CYP3A4
SCHEMBL27999583 0.80 TAAR1 (0.52) DPP4DPP7TAAR1IDO1CYP3A4
SCHEMBL978947 0.79 DPP4 (0.57) DPP4DPP7DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US disclosed
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
CN-100422161-C Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMA CO (JP) 2008-10-01 CN disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
EP-1092435-B1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO KK (JP) 2007-04-04 EP disclosed
CN-1656084-A Hydroxymorpholone derivative and medical application thereof SENJU PHARMA CO (JP) 2005-08-17 CN disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 US disclosed
US-6489331-B1 A CONDENSED PURINE DERIVATIVE AS AN ACTIVE INGREDIENT AS AN ENHANCER OF INSULIN SECRETION AND A MEDICAMENT FOR THE TREATMENT OF DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-03 US disclosed
EP-1092435-A1 REMEDIES FOR DIABETES KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-04-18 EP disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 DPP4 737/4885DPP7 538/4885TAAR1 1953/4885
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA DPP4 2388/4885DPP7 1344/4885TAAR1 4634/4885

“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.