SCHEMBL4623734

SCHEMBL4623734

COc1ccc2c(c1)NC(=O)C(C(=O)O)CC2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.46
POLA1 P09884 2/20 0.43
SRC P12931 1/20 0.43
MTNR1B P49286 2/20 0.42
MTNR1A P48039 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
HTR5A P47898 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4622631 0.86 SRC (0.44) SIRT1SRCMTNR1BMTNR1AALDH1A1
SCHEMBL6243498 0.86 MTNR1A (0.43) SRCMTNR1BMTNR1AALDH1A1HTR5A
SCHEMBL6137895 0.84 CASP1 (0.43) SRCMTNR1BMTNR1AALDH1A1DRD2
SCHEMBL6197384 0.84 ALOX15 (0.42) MTNR1BMTNR1AALDH1A1HPGDHSD17B10
SCHEMBL6200356 0.84 CASP1 (0.43) SRCMTNR1BMTNR1AALDH1A1DRD2
SCHEMBL6200359 0.84 CASP1 (0.43) SRCMTNR1BMTNR1AALDH1A1DRD2
SCHEMBL6197387 0.84 ALOX15 (0.42) MTNR1BMTNR1AALDH1A1HPGDHSD17B10
SCHEMBL6197391 0.84 ALOX15 (0.42) MTNR1BMTNR1AALDH1A1HPGDHSD17B10
SCHEMBL7430923 0.80 ALDH1A1 (0.49) SRCALDH1A1SMN1; SMN2DRD2DRD3
SCHEMBL9405637 0.80 DRD2 (0.49) SRCALDH1A1DRD2DRD3HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 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 (2 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP SIRT1 2994/4885POLA1 1794/4885SRC 2856/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 SIRT1 2167/4885POLA1 1552/4885SRC 1900/4885

“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.