SCHEMBL1383077

SCHEMBL1383077

CCCCOC(=O)NN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 4/20 0.47
EPHX1 P07099 1/20 0.46
ACHE P22303 8/20 0.44
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
LIPE Q05469 2/20 0.41
THRB P10828 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41

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
SCHEMBL3010245 0.98 SMN1; SMN2 (0.52) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL7841197 0.96 SMN1; SMN2 (0.47) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL8589909 0.93 EPHX1 (0.56) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL8590406 0.92 EPHX1 (0.54) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL7194159 0.86 EPHX1 (0.59) SMN1; SMN2EPHX1ACHEGAA
SCHEMBL28783627 0.85 GNAI3 (0.55) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL7750794 0.84 EPHX1 (0.46) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL6381523 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL7009651 0.82 EPHX1 (0.40) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL6582896 0.82 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712384-B2 2011-06-29 JP claimed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP claimed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO claimed
US-11739070-B2 C5A receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2023-08-29 US disclosed
US-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2011-06-30 US disclosed
US-20100204187-A1 Purine Derivatives PALAU PHARMA, S.A. (ES) 2010-08-12 US disclosed
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 US disclosed
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 US disclosed
EP-1802590-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES Pharmacia & Upjohn Company LLC (US) 2007-07-04 EP disclosed
WO-2006040666-A1 SUBSTITUTED N-ALKYLPYRIMIDINONES PHARMACIA & UPJOHN COMPANY LLC (US) 2006-04-20 WO disclosed
EP-1601674-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO 4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-07 EP disclosed
EP-1460061-A1 PROCESS FOR PRODUCING 1-ALKOXYCARBONYL NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE Toray Fine Chemicals Co., Ltd. (JP) 2004-09-22 EP disclosed
WO-2004037800-A1 ARYLOXYALKYLAMINE DERIVATES AS H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2004-05-06 WO disclosed
WO-2004022558-A2 HYDROXY ALKYL SUBSTITUTED 1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE DERIVATIVES USEFUL FOR THE TREATMENT OF ORL-1 RECEPTOR MEDIATED DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 WO disclosed
WO-1999040882-A2 STEREOSELECTIVE Tc-99m LIGANDS TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-08-19 WO disclosed
EP-0757675-A1 NOVEL QUINOLONE 5-(N-HETEROSUBSTITUTED AMINO) ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 1997-02-12 EP disclosed
WO-1995029894-A1 NOVEL QUINOLONE 5-(N-HETEROSUBSTITUTED AMINO) ANTIMICROBIALS THE PROCTER & GAMBLE COMPANY (US) 1995-11-09 WO disclosed
EP-0527889-A4 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 1994-08-10 EP disclosed
EP-0527889-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1993-02-24 EP disclosed
WO-1991016894-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1991-11-14 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 (5 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-20110160185-A9 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 SMN1; SMN2 4587/4885MAPT 4202/4885NPC1 4526/4885
US-20100204187-A1 Purine Derivatives JAK3, JAK1, JAK2 SMN1; SMN2 3941/4885MAPT 4689/4885NPC1 3856/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 SMN1; SMN2 4587/4885MAPT 4202/4885NPC1 4526/4885
US-11739070-B2 C5A receptor modulators C5AR1, C3AR1, C5AR2 SMN1; SMN2 4661/4885MAPT 4529/4885NPC1 2424/4885
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 SMN1; SMN2 4740/4885MAPT 2488/4885NPC1 4008/4885

“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.