SCHEMBL13301258

SCHEMBL13301258

Cc1cc2c3ccccc3n(C(C)C)c2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
NPY5R Q15761 4/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
UTS2R Q9UKP6 1/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 2/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2A6 P11509 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
SCHEMBL27979731 0.83 MEN1 (0.48) MEN1KMT2ABCHEACHENPY5R
SCHEMBL27979879 0.79 MEN1 (0.45) MEN1KMT2ABCHEACHENPY5R
SCHEMBL27979704 0.79 MEN1 (0.48) MEN1KMT2ABCHEACHENPY5R
SCHEMBL29780042 0.78 BCHE (0.59) MEN1KMT2ABCHEACHENPY5R
SCHEMBL150044 0.78 BCHE (0.59) MEN1KMT2ABCHEACHENPY5R
SCHEMBL3337353 0.78 GPR3 (0.57) MEN1KMT2ABCHEACHEMAPT
SCHEMBL5096226 0.78 NPY5R (0.47) MEN1KMT2ABCHEACHENPY5R
SCHEMBL15458634 0.76 MEN1 (0.58) MEN1KMT2ABCHEACHENPY5R
SCHEMBL22336451 0.76 KMT2A (0.54) MEN1KMT2ABCHEACHENPY5R
SCHEMBL5092382 0.75 CNR2 (0.64) MAPTTSHRATMHPGDLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125812-B2 USE OF ß-CARBOLINES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ELLNEUROXX LTD (DE) 2016-05-25 EP 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

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 MEN1 4437/4885KMT2A 588/4885BCHE 4/4885

“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.