SCHEMBL9102526

SCHEMBL9102526

CCCNc1nc(NCC)nc(NOC)n1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
CYP2C19 P33261 3/20 0.68
LMNA P02545 2/20 0.45
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
MCL1 Q07820 1/20 0.42
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.40
NR1I2 O75469 1/20 0.38
AHR P35869 1/20 0.38

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
SCHEMBL9102497 0.94 CYP1A2 (0.58) CYP1A2CYP2C19LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL9108143 0.92 CYP1A2 (0.56) CYP1A2CYP2C19LMNAKMT2AMEN1
SCHEMBL17158254 0.82 CYP1A2 (0.47) CYP1A2CYP2C19LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL17158309 0.81 CYP1A2 (0.46) CYP1A2CYP2C19LMNAKMT2AMEN1
SCHEMBL10543159 0.78 CYP1A2 (0.61) CYP1A2CYP2C19LMNAKMT2AMEN1
SCHEMBL8336621 0.78 LMNA (0.55) CYP1A2CYP2C19LMNAKMT2AL3MBTL1
SCHEMBL16543336 0.76 CYP1A2 (0.61) CYP1A2CYP2C19LMNAKMT2AL3MBTL1
SCHEMBL2356311 0.76 LMNA (0.79) CYP1A2CYP2C19LMNAKMT2AL3MBTL1
SCHEMBL9912512 0.75 CYP1A2 (0.60) CYP1A2CYP2C19LMNAKMT2AL3MBTL1
SCHEMBL1034033 0.73 LMNA (0.74) CYP1A2CYP2C19LMNAKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS INC (US) 2016-09-08 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2015-12-31 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9162992-B2 Compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. 2014-12-18 US disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-11-22 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 US disclosed
US-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases GALLEON PHARMACEUTICALS, INC. 2012-06-07 US 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-20120142647-A1 Novel Compounds as Respiratory Stimulants for Treatment of Breathing Control Disorders or Diseases MTNR1B, CHRM3, ADRA2C CYP1A2 457/4885CYP2C19 672/4885LMNA 2124/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 CYP1A2 1058/4885CYP2C19 1600/4885LMNA 719/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 CYP1A2 2352/4885CYP2C19 3493/4885LMNA 843/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C CYP1A2 472/4885CYP2C19 677/4885LMNA 3628/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 CYP1A2 1058/4885CYP2C19 1600/4885LMNA 719/4885

“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.