SCHEMBL5526850

SCHEMBL5526850

COc1ccc2c(c1)CC(NC(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.68
MTNR1B P49286 2/20 0.68
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
ACHE P22303 4/20 0.64
DRD2 P14416 4/20 0.55
DRD3 P35462 3/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
DRD4 P21917 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.49
CCR3 P51677 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SSTR3 P32745 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL6523015 1.00 MTNR1A (0.68) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3391773 0.96 MTNR1A (0.63) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3395108 0.95 CA1 (0.64) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL2079654 0.90 KMT2A (0.56) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL10253556 0.84 MTNR1A (0.61) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3854031 0.81 MTNR1A (1.00) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL545630 0.80 BRAF (0.53) MTNR1AMTNR1BHDAC8
SCHEMBL5522805 0.80 MTNR1A (0.60) MTNR1AMTNR1BKMT2AMEN1HDAC8
SCHEMBL3392060 0.80 MTNR1A (0.60) MTNR1AMTNR1BKMT2AMEN1HDAC8
SCHEMBL3390898 0.80 MTNR1A (0.60) MTNR1AMTNR1BKMT2AMEN1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241811-B2 E.g., 1-(pyridin-4-ylcarbamoyl)-1,2,3,6- tetrahydropyridine hydrochloride; therapy and prophylaxis of amnesia or dementia ASTELLAS PHARMA INC. (JP) 2007-07-10 US disclosed
US-7037942-B2 Amide compounds for the potentiation of cholinergic activity ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20060058396-A1 Amide compounds for the potentiation of cholinergic activity ASTELLAS PHARMA INC. (JP) 2006-03-16 US disclosed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
EP-1159258-B1 AMIDE COMPOUNDS FOR THE POTENTIATION OF CHOLINERGIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-10 EP disclosed
US-20040048904-A1 Amide compounds for the potentiation of cholinergic activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-03-11 US disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
US-6664293-B2 For treatment and/or prevention of disorders in the central nervous system, particularly amnesia, dementia, Alzheimer's dementia FUJIWAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-16 US disclosed
US-20030096847-A1 Amide compounds for the potentiation of cholinergic activity FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-05-22 US disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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 (4 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-20040048904-A1 Amide compounds for the potentiation of cholinergic activity CHAT, CHRM2, CHRNA2 MTNR1A 280/4885MTNR1B 333/4885CA1 384/4885
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 MTNR1A 604/4885MTNR1B 448/4885CA1 2237/4885
US-20060058396-A1 Amide compounds for the potentiation of cholinergic activity CHRM2, CHRM1, CHAT MTNR1A 253/4885MTNR1B 287/4885CA1 505/4885
US-20030096847-A1 Amide compounds for the potentiation of cholinergic activity CHAT, CHRM2, CHRNA2 MTNR1A 280/4885MTNR1B 333/4885CA1 384/4885

“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.