SCHEMBL6020595

SCHEMBL6020595

NC(=O)CN1CCCC1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.41
ACE P12821 9/20 0.41
REN P00797 3/20 0.39
KDM4E B2RXH2 1/20 0.39
F2 P00734 1/20 0.39
LTA4H P09960 1/20 0.39
MAPT P10636 1/20 0.39
PEPD P12955 1/20 0.39
ALOX15 P16050 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
THPO P40225 1/20 0.39
PMP22 Q01453 1/20 0.39
ACE2 Q9BYF1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8935820 1.00 CYP2C19 (0.42) CYP2C19LMNAHSD17B10CYP1A2ACE
Hydrochloric Acid SCHEMBL29025686 0.98 CYP2C19 (0.41) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL1358371 0.85 TACR1 (0.37) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL472181 0.84 ACE (0.45) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL472180 0.84 ACE (0.45) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL2177821 0.81 LMNA (0.46) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL9110139 0.81 LMNA (0.46) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL28452245 0.80 ACE (0.43) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL17052427 0.80 ACE (0.43) CYP2C19LMNAHSD17B10CYP1A2ACE
SCHEMBL5509059 0.78 SMN1; SMN2 (0.46) CYP2C19LMNAHSD17B10CYP1A2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 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 (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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 CYP2C19 3832/4885LMNA 549/4885HSD17B10 903/4885

“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.