SCHEMBL4621232

SCHEMBL4621232

COc1ccc2c(c1)CCC(CCC(=O)N(C)C)C2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
ACHE P22303 4/20 0.57
CYP26A1 O43174 1/20 0.55
CYP19A1 P11511 2/20 0.52
MCHR1 Q99705 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
HTR1A P08908 1/20 0.43

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
SCHEMBL4622235 0.93 CA1 (0.55) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL4622569 0.88 CA1 (0.59) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL4622326 0.86 CYP26A1 (0.58) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL4622590 0.81 CYP26A1 (0.56) CA1CA2ACHECYP26A1CYP19A1
Hydrochloric Acid SCHEMBL4623080 0.80 CYP19A1 (0.56) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL3407663 0.78 CYP26A1 (0.53) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL4621033 0.78 CYP26A1 (0.61) CA1CA2ACHECYP26A1CYP19A1
SCHEMBL4621034 0.78 CYP26A1 (0.55) CA1CA2ACHECYP26A1CYP19A1
Hydrochloric Acid SCHEMBL4624090 0.78 CYP19A1 (0.54) CA1CA2ACHECYP26A1CYP19A1
Hydrochloric Acid SCHEMBL7348609 0.78 CYP19A1 (0.54) CA1CA2ACHECYP26A1CYP19A1

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 CA1 3139/4885CA2 3174/4885ACHE 1381/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CA1 1187/4885CA2 1498/4885ACHE 568/4885

“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.