SCHEMBL5751144

SCHEMBL5751144

NC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.42
PDK2 Q15119 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACE P12821 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
SCN9A Q15858 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36

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
SCHEMBL16393157 1.00 DPP4 (0.42) DPP4PDK2LMNACYP2C19HSD17B10
SCHEMBL30644689 0.89 DPP4 (0.33) DPP4PDK2LMNACYP2C19HSD17B10
SCHEMBL1681427 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL7380987 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL1681430 0.83 LMNA (0.58) LMNACYP2C19HSD17B10ACE
SCHEMBL30305372 0.82 HTT (0.45) DPP4LMNACYP2C19HSD17B10ACE
SCHEMBL8591233 0.82 HTT (0.45) DPP4LMNACYP2C19HSD17B10ACE
SCHEMBL3817074 0.82 HTT (0.45) DPP4LMNACYP2C19HSD17B10ACE
SCHEMBL2036130 0.81 LMNA (0.41) LMNACYP2C19HSD17B10ACE
SCHEMBL247604 0.81 LMNA (0.41) LMNACYP2C19HSD17B10ACE

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 WO claimed
EP-3275861-A1 TETRACYCLINE COMPOUNDS Tetraphase Pharmaceuticals, Inc. (US) 2018-01-31 EP disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
EP-2470500-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-10-04 EP disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9309285-B2 Macrocyclic broad spectrum antibiotics RQX PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
WO-2014081886-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-30 WO disclosed
US-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2014-05-22 US disclosed
US-20120208788-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-08-16 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-5364942-A Treatment of hypertension and atherosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5318980-A Antihypertensive and antiatherosclerotic agents BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed
US-5254543-A Hypotensive, anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1993-10-19 US disclosed
EP-0564788-A2 Sulfonylbenzyl substituted imidazopyridines as AII-antagonists BAYER AG (DE) 1993-10-13 EP disclosed
EP-0562261-A2 Sulphonylbenzyl substituted imidazoles BAYER AG (DE) 1993-09-29 EP disclosed
EP-0557843-A2 Sulfonylbenzyl-substituted pyridones as pharmaceuticals BAYER AG (DE) 1993-09-01 EP disclosed
EP-0557842-A2 Sulphonylbenzyl substituted imidazolylpropenic acid derivatives BAYER AG (DE) 1993-09-01 EP disclosed
US-4091029-A RESOLVING AGENT FOR RACEMIC MIXTURES ELI LILLY AND COMPANY (US) 1978-05-23 US disclosed
US-4000197-A FROM PHENYLACETONES AND METHYL BENZYLAMINE, REDUCTION, HYDROGENOLYSIS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1976-12-28 US disclosed
US-3972925-A RESOLUTION AGENT ELI LILLY AND COMPANY (US) 1976-08-03 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-20140142029-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC DPP4 58/4885PDK2 3915/4885LMNA 1857/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C DPP4 1480/4885PDK2 4230/4885LMNA 3276/4885
US-20120208788-A1 Tetracycline Compounds TUBA1A, TUBA1C, TUBB1 DPP4 1551/4885PDK2 4252/4885LMNA 3502/4885

“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.