SCHEMBL17577892

SCHEMBL17577892

Cc1ccccc1C1CN(c2ccccc2)NN1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR2C P28335 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ALOX5 P09917 4/20 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
SCHEMBL17577923 0.80 GAA (0.42) MAOBMAOAALDH1A1GAAG6PD
SCHEMBL17577913 0.73 NPEPPS (0.43) ALDH1A1GAAG6PDL3MBTL1ALOX5
SCHEMBL17577891 0.68 MAPT (0.44) ALDH1A1
SCHEMBL11625518 0.66 MAOB (0.49) MAOBMAOAALDH1A1TSHRGAA
Iodide SCHEMBL11747618 0.65 MAOB (0.47) MAOBMAOAALDH1A1TSHRGAA
SCHEMBL4624677 0.65 G6PD (0.40) ALDH1A1GAAG6PDL3MBTL1ALOX5
SCHEMBL28587092 0.65 HTR2C (0.52) HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL19882208 0.64 ALOX5 (0.40) ALDH1A1GAAG6PDL3MBTL1ALOX5
SCHEMBL4017960 0.64 MAOB (0.43) MAOBMAOAHTR2C
SCHEMBL15834214 0.63 HTR2C (0.52) MAOBMAOAALDH1A1HTR2CSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991997-B1 TRANSITION METAL COMPLEXES WITH CARBENE LIGANDS AND THE USE THEREOF IN OLEDS UDC IRELAND LTD (IE) 2018-02-21 EP disclosed
US-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs BASF SE (DE) 2016-03-10 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-20160072081-A1 Transition metal complexes with carbene ligands and the use thereof in OLEDs OCIAD1, OCIAD2, TRPM6 MAOB 212/4885MAOA 1157/4885ALDH1A1 1873/4885

“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.