SCHEMBL4622622

SCHEMBL4622622

CN(C)CCC1=Cc2ccc(OCc3ccc(-c4ccccc4)cc3)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
BACE1 P56817 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
GSTP1 P09211 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LSS P48449 1/20 0.40
BCL2 P10415 2/20 0.40
MCHR1 Q99705 1/20 0.40
ESR1 P03372 1/20 0.40
HTR6 P50406 1/20 0.40
KDM1A O60341 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A4 P31645 1/20 0.39
ALOX5 P09917 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
Hydrochloric Acid SCHEMBL4623838 0.99 HTR1D (0.42) HTR1DTRPM8BACE1HRH3GSTP1
SCHEMBL4621288 0.82 RXRA (0.45) BACE1GSTP1S1PR1S1PR3MCHR1
SCHEMBL9158096 0.73 HRH3 (0.50) HRH3KDM1AALOX5MAOAMAOB
SCHEMBL1269557 0.73 BACE1 (0.67) BACE1HRH3MCHR1FFAR1
SCHEMBL361018 0.73 BACE1 (0.67) BACE1HRH3MCHR1FFAR1
SCHEMBL14440137 0.73 BACE1 (0.64) BACE1HRH3MCHR1FFAR1
SCHEMBL5582692 0.72 MCHR1 (0.68) MCHR1
Water SCHEMBL4978875 0.72 BACE1 (0.66) BACE1HRH3MCHR1FFAR1
Hydrochloric Acid SCHEMBL4622556 0.72 BACE1 (0.66) BACE1HRH3MCHR1FFAR1
SCHEMBL11519620 0.72 HRH3 (0.55) HRH3KDM1AALOX5MAOAMAOB

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 10 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-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US 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
EP-0971878-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2000-01-19 EP disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 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 (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 HTR1D 606/4885TRPM8 2396/4885BACE1 23/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 HTR1D 114/4885TRPM8 2413/4885BACE1 48/4885

“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.