SCHEMBL7210331

SCHEMBL7210331

CCC(=O)NC1CCc2cc(OC)ccc2C1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.70
CA2 P00918 4/20 0.70
ACHE P22303 3/20 0.70
MTNR1A P48039 7/20 0.67
MTNR1B P49286 7/20 0.67
CYP1A2 P05177 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
DRD2 P14416 3/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 2/20 0.54
NQO2 P16083 3/20 0.53
CA12 O43570 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL7337809 1.00 CA1 (0.70) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL17335544 0.89 CA1 (0.64) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3975748 0.85 MTNR1A (0.90) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL5783028 0.85 CA1 (0.67) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL7352131 0.82 CA1 (0.70) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL3854031 0.80 MTNR1A (1.00) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL11493562 0.80 DRD2 (0.71) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL11008652 0.80 ACHE (0.62) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL2597383 0.79 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL827706 0.79 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2MAPTCYP2C9

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
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
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed
US-4442126-A PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS SYNTHELABO (FR) 1984-04-10 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 (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-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 CA1 3139/4885CA2 3174/4885ACHE 1381/4885

“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.