SCHEMBL3337353

SCHEMBL3337353

Cc1cc2c3ccccc3n(C)c2cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.57
GABRP O00591 2/20 0.49
GABRD O14764 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRB1 P18505 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA3 P34903 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GABRA4 P48169 2/20 0.49
GABRE P78334 2/20 0.49
GABRA6 Q16445 2/20 0.49
GABRG1 Q8N1C3 2/20 0.49
GABRG3 Q99928 2/20 0.49
GABRQ Q9UN88 2/20 0.49
KDM4E B2RXH2 5/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49

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
SCHEMBL12382830 0.87 AAK1 (0.39) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL13100683 0.86 GPR3 (0.57) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL3339641 0.81 GPR3 (0.55) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL27979888 0.81 GPR3 (0.55) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL23373487 0.79 GPR3 (0.53) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL13301258 0.78 MEN1 (0.49) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL19432924 0.78 CYP1A2 (0.38) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL8173842 0.78 KDM4E (0.55) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL22099990 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL16621628 0.78 ALKBH5 (0.41) GPR3GABRPGABRDGABRA1GABRB1

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-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US claimed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US claimed
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-9941422-B2 Organic photoelectric conversion element and solar cell using the same Konica Minolta, Inc. (JP) 2018-04-10 US disclosed
US-9882072-B2 Solar cell and transparent electrode Konica Minolta, Inc. (JP) 2018-01-30 US disclosed
US-9882072-B2 Solar cell and transparent electrode Konica Minolta, Inc. (JP) 2018-01-30 US disclosed
EP-2125812-B2 USE OF ß-CARBOLINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX LTD (DE) 2016-05-25 EP disclosed
US-20150221793-A1 SOLAR CELL AND TRANSPARENT ELECTRODE Konica Minolta, Inc. (JP) 2015-08-06 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 US disclosed
US-20150096610-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL USING THE SAME SONY SEMICONDUCTOR SOLUTIONS CORPORATION (JP) 2015-04-09 US disclosed
US-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US disclosed
US-8334299-B2 β-carboline for the treatment of neurodegenerative diseases ELLNEUROXX, LTD. (DE) 2012-12-18 US disclosed
EP-2125812-B1 USE OF ß-CARBOLINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX LTD (DE) 2012-10-31 EP disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX, LTD. 2010-06-10 US disclosed
US-4731358-A β-carbolines and their use as tranquilizers SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-15 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 (1 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-20100143474-A1 B-CARBOLINE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PARK7, SNCA, CHAT GPR3 208/4885GABRP 1512/4885GABRD 2383/4885

“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.