SCHEMBL4683301

SCHEMBL4683301

CCCCOC(=O)NC(C(=O)O)C1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
TSHR P16473 1/20 0.41
EPHX1 P07099 3/20 0.40
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
PYGL P06737 1/20 0.38
ACE P12821 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
MMP1 P03956 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
SCHEMBL23160898 0.99 HRH3 (0.40) HRH3TSHREPHX1EPHX2SMN1; SMN2
SCHEMBL3655320 0.93 EPHX1 (0.41) HRH3EPHX1SMN1; SMN2GAAMAPK1
SCHEMBL14263864 0.85 TSHR (0.44) TSHRGAAPYGLMAPTMMP1
SCHEMBL6436784 0.85 TSHR (0.44) TSHRGAAPYGLMAPTMMP1
SCHEMBL6436779 0.85 TSHR (0.44) TSHRGAAPYGLMAPTMMP1
SCHEMBL13506436 0.84 HRH3 (0.46) HRH3TSHREPHX1EPHX2SMN1; SMN2
SCHEMBL13387471 0.84 HRH3 (0.46) HRH3TSHREPHX1EPHX2SMN1; SMN2
Hydrochloric Acid SCHEMBL27509412 0.84 TSHR (0.43) TSHRGAAPYGLMAPTMMP1
SCHEMBL8325170 0.82 HRH3 (0.44) HRH3TSHREPHX1EPHX2SMN1; SMN2
SCHEMBL749987 0.82 CASP1 (0.40) HRH3TSHREPHX1SMN1; SMN2GAA

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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2014-10-16 US disclosed
EP-2776407-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2014-09-17 EP disclosed
WO-2013070657-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-05-16 WO disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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 (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-20140309192-A1 MODULATORS OF THE G PROTEIN-COUPLED MAS RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO MRGPRX1, MRGPRX2, AGTR1 HRH3 1216/4885TSHR 245/4885EPHX1 1463/4885

“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.