SCHEMBL3453428

SCHEMBL3453428

N#Cc1nccnc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
HTR2C P28335 3/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL5485198 0.94 MAPT (0.44) MAPTHTR2CEPHX2
SCHEMBL6598196 0.83 MAPT (0.51) MAPTKDM4EALDH1A1
SCHEMBL13116668 0.80 HTR2C (0.56) HTR2CEPHX2KDM4EALDH1A1
SCHEMBL2077223 0.79 MAPT (0.55) MAPTKDM4EALDH1A1
SCHEMBL2077222 0.79 MAPT (0.51) MAPTKDM4EALDH1A1
SCHEMBL6595642 0.79 KDM4E (0.51) MAPTKDM4EALDH1A1
SCHEMBL2897789 0.78 MAPT (0.42) MAPT
SCHEMBL2895112 0.78 MAPT (0.42) MAPT
SCHEMBL513858 0.77 MAPT (0.50) MAPTKDM4EALDH1A1
SCHEMBL2342217 0.77 TAAR1 (0.43) MAPTHTR2CKDM4EALDH1A1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722661-B2 Pyrrolopyrimidone and pyrrolopyridone inhibitors of tankyrase HOFFMANN-LA ROCHE INC. (US) 2014-05-13 US disclosed
US-20130331375-A1 PYRROLOPYRIMIDONE AND PYRROLOPYRIDONE INHIBITORS OF TANKYRASE F. HOFFMANN-LA ROCHE AG (CH) 2013-12-12 US disclosed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-7820817-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-26 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-20100105693-A1 Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-29 US disclosed
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-7465732-B2 (2S,4S)-4-(piperazin-1-yl)pyrrolidine-2-methanone derivatives PFIZER INC (US) 2008-12-16 US disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO disclosed
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain VERTEX PHARMACEUTICALS INCORPORATED 2006-01-26 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
WO-2005117883-A1 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-12-15 WO disclosed
US-20050256310-A1 Therapeutic compounds PFIZER INC 2005-11-17 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 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 (7 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPT 3896/4885HTR2C 1351/4885EPHX2 1688/4885
US-20050256310-A1 Therapeutic compounds REN, SLC5A1, SLC5A2 MAPT 4050/4885HTR2C 2296/4885EPHX2 198/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPT 3896/4885HTR2C 1351/4885EPHX2 1688/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPT 3453/4885HTR2C 1179/4885EPHX2 1423/4885
US-20100105693-A1 Modulators of Muscarinic Receptors CHRM3, CHRM5, CHRM2 MAPT 3368/4885HTR2C 264/4885EPHX2 1690/4885
US-20060019962-A1 substituted piperazine compounds that are useful modulators of muscarinic receptors; 1-(5-bicyclo[2.2.1]hept-2-enylmethyl)-4-(3-nitro-2-pyridyl)-piperazine; treatment of COPD, asthma, urinary incontinence, glaucoma, Alzheimer's (AchE inhibitors), and pain ACHE, CHRM5, CHRM3 MAPT 319/4885HTR2C 147/4885EPHX2 426/4885
US-20130331375-A1 PYRROLOPYRIMIDONE AND PYRROLOPYRIDONE INHIBITORS OF TANKYRASE TNKS1BP1, TNKS, TPI1 MAPT 3371/4885HTR2C 4736/4885EPHX2 3779/4885

“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.