SCHEMBL9104814

SCHEMBL9104814

CC(C)CONC(=O)O.c1ccc2c(c1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
GRM7 Q14831 2/20 0.38
HPGD P15428 1/20 0.37
CD69 Q07108 1/20 0.37
GPR88 Q9GZN0 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL5080360 0.80
SCHEMBL9107998 0.78 GRM7 (0.41) ALDH1A1TSHRGRM7CD69KDM4E
SCHEMBL27469935 0.75 RAB9A (0.59) NAMPTALDH1A1TSHRHPGDKDM4E
SCHEMBL9108245 0.74 PTGIR (0.40) MTNR1AMTNR1BCD69GPR88
SCHEMBL30184344 0.71 HDAC3 (0.53) NAMPTALDH1A1TSHRHPGD
SCHEMBL30035831 0.70 TSHR (0.42) ALDH1A1TSHRCACNA1FCACNA1DCACNA1S
Acetamide SCHEMBL28035592 0.70 NOTUM (0.48) ALDH1A1TSHRMTNR1AMTNR1B
SCHEMBL9104804 0.70 CA12 (0.55) ALDH1A1
Acetone SCHEMBL27589367 0.70 CYP1A2 (0.52) ALDH1A1MTNR1AMTNR1B
Alanine SCHEMBL16899299 0.70 HTR2A (0.46) ALDH1A1GRM7

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 14 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-9351972-B2 Compounds as respiratory stimulants for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed
CN-103347866-B As the noval chemical compound of the respiratory stimulant for the treatment of control of breathing discomfort or disease GALLEON PHARMACEUTICALS, INC. (US) 2016-05-18 CN 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
CN-104602694-A Novel compounds and compositions for treatment of breathing control disorders or diseases GALLEON PHARMACEUTICALS INC 2015-05-06 CN disclosed
EP-2855438-A2 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES Galleon Pharmaceuticals, Inc. (US) 2015-04-08 EP 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
EP-2646423-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES Galleon Pharmaceuticals, Inc. (US) 2013-10-09 EP disclosed
CN-103347866-A Novel compound as respiratory stimulants for treatment of breathing control disorder or disease GALLEON PHARMACEUTICALS INC 2013-10-09 CN 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

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 NAMPT 4010/4885ALDH1A1 1551/4885TSHR 1976/4885
US-20120295911-A1 Novel Compounds and Compositions for Treatment of Breathing Control Disorders or Diseases PER2, SMPD4, NDUFB5 NAMPT 2843/4885ALDH1A1 1328/4885TSHR 3789/4885
US-20140371224-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, MTNR1B, NDUFB5 NAMPT 2754/4885ALDH1A1 1618/4885TSHR 3888/4885
US-20160256463-A1 NOVEL COMPOUNDS AS RESPIRATORY STIMULANTS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES P2RX5, HRH2, ADRA2C NAMPT 3959/4885ALDH1A1 1328/4885TSHR 1896/4885
US-20150374706-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF BREATHING CONTROL DISORDERS OR DISEASES PER2, SMPD4, NDUFB5 NAMPT 2843/4885ALDH1A1 1328/4885TSHR 3789/4885

“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.