SCHEMBL21893433

SCHEMBL21893433

Cc1nccc2cn(C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.39
COMT P21964 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NSD2 O96028 1/20 0.35
MAT2A P31153 2/20 0.34
MEN1 O00255 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
GABRA1 P14867 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL19555900 0.78 HDAC8 (0.39) ALDH1A1MAPTKDM4ENSD2MAT2A
SCHEMBL16026311 0.78 MAPT (0.34) ALDH1A1MAPTKDM4ENSD2
SCHEMBL24656632 0.76 MAT2A (0.33) ALDH1A1MAPTKDM4ENSD2MAT2A
SCHEMBL21893447 0.76 PAK4 (0.33) ALDH1A1MAPTKDM4ENSD2BACE1
SCHEMBL29936069 0.74 MAPT (0.32) ALDH1A1MAPTKDM4ENSD2CCR1
SCHEMBL24654848 0.73 KDM4E (0.31) ALDH1A1MAPTKDM4ENSD2
SCHEMBL31211299 0.73 JMJD6 (0.39) ALDH1A1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL24163754 0.71 ALDH1A1 (0.37) COMTALDH1A1MAPTKDM4ENSD2
SCHEMBL7955178 0.69 NOS1 (0.39) CYP2A6ALDH1A1MAPTKDM4ENSD2
SCHEMBL19864413 0.69 MAPT (0.40) CYP2A6COMTALDH1A1MAPTKDM4E

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
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885COMT 1058/4885ALDH1A1 312/4885

“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.