SCHEMBL1640178

SCHEMBL1640178

CC(=O)c1ccc(C)nc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRE P78334 1/20 0.44
GABRA6 Q16445 1/20 0.44
GABRG1 Q8N1C3 1/20 0.44
GABRG3 Q99928 1/20 0.44
GABRQ Q9UN88 1/20 0.44
CA9 Q16790 1/20 0.42
MDM2 Q00987 1/20 0.42
ALDH1A1 P00352 2/20 0.40

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
Acetic Acid SCHEMBL27787013 0.83 GABRP (0.60) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL181362 0.82 GABRP (0.64) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL30174186 0.82 GABRP (0.64) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL161323 0.80 NNMT (0.61) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL16723874 0.80 SMN1; SMN2 (0.45) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL9505952 0.80 GABRP (0.62) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL13952836 0.80 GABRP (0.42) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL19434344 0.79 SMN1; SMN2 (0.50) SMN1; SMN2GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL2162841 0.78 NNMT (0.59) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL9505945 0.78 KDM4E (0.44) SMN1; SMN2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO claimed
CN-118598851-A 5-Aminoindole chalcone compound and preparation method and application thereof 平顶山学院 2024-09-06 CN disclosed
US-20240025877-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-01-25 US disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-09 US disclosed
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-10-05 US disclosed
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2018-06-14 US disclosed
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator VERTEX PHARMACEUTICALS INCORPORATED 2018-04-05 US disclosed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
WO-1994003433-A1 BIOLOGICAL APPLICATIONS OF ALKALOIDS DERIVED FROM THE TUNICATE EUDISTOMA sp. THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-02-17 WO disclosed
US-4127583-A Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4111946-A Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4075217-A Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 US disclosed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 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 (6 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 SMN1; SMN2 3164/4885GABRP 271/4885GABRD 361/4885
US-20230312616-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4797/4885GABRP 298/4885GABRD 607/4885
US-20180093969-A1 Modulator of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, ABCB11 SMN1; SMN2 4741/4885GABRP 571/4885GABRD 254/4885
US-20240025877-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G SMN1; SMN2 4759/4885GABRP 374/4885GABRD 932/4885
US-20180162839-A1 Modulator of the Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulator CFTR, SLC26A4, TMEM109 SMN1; SMN2 4546/4885GABRP 980/4885GABRD 521/4885
US-20230357191-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 SMN1; SMN2 4546/4885GABRP 980/4885GABRD 521/4885

“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.