SCHEMBL8246709

SCHEMBL8246709

CCNC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.59
LMNA P02545 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
CHRM1 P11229 1/20 0.47
PDE4A P27815 1/20 0.47
PTGS1 P23219 3/20 0.47
PTGS2 P35354 3/20 0.47
CYP2C9 P11712 2/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
PLK1 P53350 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL14900332 0.86 RAB9A (0.62) ACACBMEN1KMT2APPARGEPHX2
SCHEMBL13328247 0.83 SMN1; SMN2 (0.65) LMNAHPGDRAB9ASMN1; SMN2PPARD
SCHEMBL5909057 0.82 CA12 (0.58) ACACBLMNAHPGDMEN1KMT2A
SCHEMBL8180633 0.81 PLK1 (0.63) ACACBLMNAHPGDCHRM1PDE4A
SCHEMBL3456546 0.81 BLM (0.53) LMNAHPGDMEN1KMT2AMAPT
SCHEMBL6919015 0.81 HDAC6 (0.62) CHRM1PDE4AALOX5
SCHEMBL25016755 0.81 CYP1A2 (0.58) ACACBMEN1KMT2ACHRM1PDE4A
SCHEMBL826023 0.81 PLK1 (0.68) ACACBLMNAHPGDMEN1KMT2A
SCHEMBL8246746 0.80 HPGD (0.59) ACACBHPGDMEN1KMT2ARAB9A
SCHEMBL23513432 0.80 PTGS2 (0.63) ACACBLMNACHRM1PDE4APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF DISC MEDICINE, INC. 2023-02-09 US disclosed
US-9790245-B2 Water soluble catalysts for NMR/MRI enhancement VANDERBILT UNIVERSITY (US) 2017-10-17 US disclosed
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
WO-2007115278-A2 3,6,11-TRICYCLOLIDE ENANTA PHARMACEUTICALS, INC. (US) 2007-10-11 WO disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 ACACB 428/4885LMNA 4270/4885HPGD 248/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ACACB 428/4885LMNA 4270/4885HPGD 248/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ACACB 428/4885LMNA 4270/4885HPGD 248/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ACACB 1127/4885LMNA 3616/4885HPGD 516/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 ACACB 1676/4885LMNA 4361/4885HPGD 130/4885
US-20230043159-A1 MATRIPTASE 2 INHIBITORS AND USES THEREOF MMP7, MATR3, SPINT2 ACACB 1507/4885LMNA 1207/4885HPGD 1516/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 ACACB 428/4885LMNA 4270/4885HPGD 248/4885

“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.