SCHEMBL1346009

SCHEMBL1346009

CCCCn1ccc(C)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
ACACB O00763 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PGR P06401 1/20 0.41
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
PDE5A O76074 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL17563249 0.89 TYR (0.41) TYRALDH1A1POLBACACBDRD2
SCHEMBL29161584 0.82 DRD2 (0.42) ALDH1A1DRD2DRD3KDM4EHTT
SCHEMBL17390794 0.82 DRD2 (0.42) ALDH1A1DRD2DRD3KDM4EHTT
SCHEMBL1130169 0.82 DRD2 (0.42) ALDH1A1KMT2ADRD2DRD3KDM4E
SCHEMBL25997240 0.81 TERT (0.42) ALDH1A1KMT2APOLBDRD2DRD3
SCHEMBL12640089 0.80 PIK3CD (0.41) ALDH1A1POLBACACBDRD2DRD3
SCHEMBL20417808 0.80 ACACB (0.41) TYRALDH1A1KMT2APOLBACACB
SCHEMBL10137829 0.80 ACACB (0.41) TYRALDH1A1KMT2APOLBACACB
SCHEMBL1033958 0.80 TYR (0.46) TYRALDH1A1KMT2APOLBACACB
SCHEMBL1039192 0.80 ACACB (0.41) TYRALDH1A1KMT2APOLBACACB

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
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2019-02-05 US disclosed
EP-2900238-B1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS UNIV VANDERBILT (US) 2017-12-06 EP disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY 2017-11-02 US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 US disclosed
US-9738636-B2 Fused heterocyclic compounds as selective BMP inhibitors VANDERBILT UNIVERSITY (US) 2017-08-22 US disclosed
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors VANDERBILT UNIVERSITY (US) 2016-03-10 US disclosed
EP-2344470-B1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
WO-2009070869-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
US-20080249090-A1 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2008-10-09 US disclosed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US disclosed
EP-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP disclosed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 WO 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-10196392-B2 Fused heterocyclic compounds as selective BMP inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ALDH1A1 4532/4885KMT2A 3189/4885
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 TYR 2012/4885ALDH1A1 1479/4885KMT2A 2014/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 TYR 1720/4885ALDH1A1 1577/4885KMT2A 1775/4885
US-20200054643-A1 FUSED HETEROCYCLIC COMPOUNDS AS SELECTIVE BMP INHIBITORS BMP1, BMP4, BMPR2 TYR 4725/4885ALDH1A1 4488/4885KMT2A 2777/4885
US-20170313701-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ALDH1A1 4532/4885KMT2A 3189/4885
US-20160068525-A1 Fused Heterocyclic Compounds as Selective BMP Inhibitors BMP1, BMP4, BMP2 TYR 4418/4885ALDH1A1 4532/4885KMT2A 3189/4885
US-20080249090-A1 Substituted pyridone compounds and methods of use KIT, CMA1, C3AR1 TYR 595/4885ALDH1A1 491/4885KMT2A 1949/4885

“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.