SCHEMBL3764338

SCHEMBL3764338

CN(C)C(=O)N1CC2CC(C)(NCC(=O)N3CCC[C@H]3C#N)CC2C1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.77

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.77
DPP8 Q6V1X1 6/20 0.77
DPP9 Q86TI2 4/20 0.77
PREP P48147 3/20 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
SCHEMBL3390829 1.00 DPP4 (0.77) DPP4DPP8DPP9PREP
SCHEMBL13000689 0.88 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL13000686 0.88 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL18098616 0.88 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL3759440 0.88 DPP4 (1.00) DPP4DPP8DPP9PREP
SCHEMBL3395111 0.88 DPP4 (1.00) DPP4DPP8DPP9PREP
Besigliptin SCHEMBL3397669 0.87 DPP4 (0.58) DPP4DPP8DPP9
Besigliptin SCHEMBL30786454 0.87 DPP4 (0.58) DPP4DPP8DPP9
Besigliptin SCHEMBL3757840 0.87 DPP4 (0.58) DPP4DPP8DPP9
SCHEMBL18098588 0.77 DPP4 (0.78) DPP4DPP8DPP9PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415349-B2 Dicycloazaalkane derivatives, preparation processes and medical uses thereof Jiangsu Hansoh Pharmaceuticals Co., Ltd. (CN) 2013-04-09 US disclosed
US-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2013-01-10 US disclosed
US-8304411-B2 Dicycloazaalkane derivates, preparation processes and medical uses thereof JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2012-11-06 US disclosed
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2010-12-09 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 (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-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 DPP4 1/4885DPP8 2/4885DPP9 5/4885
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 DPP4 1/4885DPP8 2/4885DPP9 5/4885

“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.