SCHEMBL4621859

SCHEMBL4621859

CN(C)CC1CCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 1.00
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
DGAT1 O75907 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
SCHEMBL14454781 1.00 MCHR1 (1.00) MCHR1ITGB3ITGA2BDGAT1
Hydrochloric Acid SCHEMBL5582577 0.99 MCHR1 (0.98) MCHR1ITGB3ITGA2BDGAT1
Hydrochloric Acid SCHEMBL4623061 0.99 MCHR1 (0.98) MCHR1ITGB3ITGA2BDGAT1
SCHEMBL5582601 0.94 MCHR1 (1.00) MCHR1ITGB3ITGA2B
SCHEMBL14454778 0.94 MCHR1 (0.88) MCHR1ITGB3ITGA2B
SCHEMBL5582793 0.94 MCHR1 (0.88) MCHR1ITGB3ITGA2B
SCHEMBL5582550 0.92 MCHR1 (1.00) MCHR1ITGB3ITGA2BDGAT1
SCHEMBL14454784 0.92 MCHR1 (0.85) MCHR1ITGB3ITGA2B
SCHEMBL14454794 0.92 MCHR1 (1.00) MCHR1ITGB3ITGA2B
SCHEMBL5582854 0.92 MCHR1 (0.85) MCHR1ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 US claimed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP claimed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO claimed
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-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-20070173498-A1 Melanin concentrating hormone antagonist KATO KANEYOSHI 2007-07-26 US disclosed
US-7115750-B1 Melanin concentrating hormone antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-03 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
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP 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
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO 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 (3 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 MCHR1 2130/4885ITGB3 4756/4885ITGA2B 4859/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 MCHR1 1423/4885ITGB3 4797/4885ITGA2B 4786/4885
US-20070173498-A1 Melanin concentrating hormone antagonist MC1R, MCHR1, MCHR2 MCHR1 2/4885ITGB3 4150/4885ITGA2B 4209/4885

“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.