SCHEMBL9912508

SCHEMBL9912508

CON(C)c1nc(NCC(C)(C)C)nc(NCC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CREBBP Q92793 1/20 0.32
HRH4 Q9H3N8 3/20 0.32
HRH3 Q9Y5N1 2/20 0.32
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
NUDT1 P36639 1/20 0.30

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
SCHEMBL9107344 0.79 CYP1A2 (0.60) GAACYP1A2CYP2C19L3MBTL1ALDH1A1
SCHEMBL16978959 0.78 IDH1 (0.52) IDH1HRH4HRH3NUDT1
SCHEMBL13687804 0.78 GAA (0.40) GAACYP1A2CYP2C19L3MBTL1TP53
Ena-001 SCHEMBL9105353 0.76 CYP1A2 (0.51) GAACYP1A2CYP2C19L3MBTL1TP53
SCHEMBL15739169 0.75 KCNH3 (0.42) GAACYP1A2CYP2C19L3MBTL1TP53
SCHEMBL10168934 0.75 ESR1 (0.46) IDH1GAACYP1A2CYP2C19L3MBTL1
SCHEMBL9912520 0.75 DNM2 (0.38) GAACYP1A2CYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL17158301 0.74 KCNH3 (0.45) GAACYP1A2CYP2C19L3MBTL1TP53
SCHEMBL9105166 0.72 LMNA (0.37) GAACYP1A2CYP2C19L3MBTL1TP53
SCHEMBL9912512 0.72 CYP1A2 (0.60) GAACYP1A2CYP2C19L3MBTL1ALDH1A1

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 16 patents. 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-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-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
WO-2013181217-A2 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2013-12-05 WO 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
WO-2012074999-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES GALLEON PHARMACEUTICALS, INC. (US) 2012-06-07 WO 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 IDH1 4448/4885GAA 342/4885CYP1A2 457/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 IDH1 3744/4885GAA 563/4885CYP1A2 1058/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 IDH1 4086/4885GAA 530/4885CYP1A2 2352/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C IDH1 4071/4885GAA 672/4885CYP1A2 472/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 IDH1 3744/4885GAA 563/4885CYP1A2 1058/4885

“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.