SCHEMBL5522397

SCHEMBL5522397

[CH2]CNC(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 4/20 0.44
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.42
ATM Q13315 1/20 0.39
TGM2 P21980 1/20 0.38
POLB P06746 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5524889 0.98 KMT2A (0.46) KMT2AALDH1A1EPHX2HTTHSD11B1
SCHEMBL1233491 0.80 HTT (0.66) KMT2AHTTSMN1; SMN2
SCHEMBL7804748 0.78 KMT2A (0.50) KMT2AALDH1A1EPHX2HTTATM
SCHEMBL14282244 0.78 KMT2A (0.50) KMT2AALDH1A1EPHX2HTTHSD11B1
SCHEMBL20481757 0.77 ALDH1A1 (0.48) KMT2AALDH1A1EPHX2HTTPOLB
SCHEMBL9092175 0.76 KMT2A (0.48) KMT2AALDH1A1EPHX2HTTATM
SCHEMBL965286 0.76 KMT2A (0.82) KMT2AALDH1A1EPHX2HTTPOLB
SCHEMBL14941550 0.76 KMT2A (0.48) KMT2AALDH1A1EPHX2HTTHSD11B1
SCHEMBL47336 0.76 KMT2A (0.48) KMT2AALDH1A1EPHX2HTTATM
SCHEMBL17273858 0.74 KMT2A (0.78) KMT2AALDH1A1HTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP claimed
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP claimed
EP-0474561-B1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-12-09 EP claimed
EP-0515240-B1 N-(aminoalkyl)piperidine compounds and their enantiomers as neurokinines receptors antagonists, processes for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-09-24 EP claimed
EP-0438230-B1 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME (GB) 1997-04-23 EP claimed
US-5583134-A QUATERNARY BASIC AMIDE DERIVATIVES; USEFUL FOR TREATING PATHOLOGICAL CONDITION INVOLVING THE TACHYKININ SYSTEM SANOFI (FR) 1996-12-10 US claimed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
US-6211219-B1 DRUGS, ANALGESICS AND AGONISTS MERCK SHARP & DOHME LTD. (GB) 2001-04-03 US disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-5998416-A Piperazine, piperidine and tetrahydropyridine derivatives as 5-HT receptor agonists MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed
US-5902819-A Triazole derivatives MERCK SHARP & DOHME LTD. (GB) 1999-05-11 US disclosed
EP-0906308-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES AS 5-HT1D RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed
EP-0494774-A1 Indazole-substituted fivemembered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1992-07-15 EP disclosed
EP-0438230-A2 Indole-substituted five-membered heteroaromatic compounds MERCK SHARP & DOHME LTD. (GB) 1991-07-24 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
EP-0200915-B1 AMINOPROPANOL DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICINES CONTAINING THEM Roche Diagnostics GmbH (DE) 1989-09-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP 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 (1 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 KMT2A 2339/4885ALDH1A1 171/4885EPHX2 1654/4885

“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.