SCHEMBL14616909

SCHEMBL14616909

Cn1ccc2c(C(C)(C)C)cncc21

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.37
NFATC1 O95644 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
ATR Q13535 1/20 0.34
HSD11B1 P28845 1/20 0.33
MAPT P10636 2/20 0.33
PIK3CB P42338 1/20 0.33
DHFR P00374 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NQO2 P16083 1/20 0.31

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
SCHEMBL18125586 0.80
SCHEMBL12670777 0.75 NFATC1 (0.37) NFATC1GSK3BDYRK1AATRHSD11B1
SCHEMBL2627063 0.73 CCR4 (0.48) CCR4HSD11B1MAPTDHFRKDM4E
SCHEMBL30702049 0.73 NFATC1 (0.36) NFATC1GSK3BDYRK1AATRHSD11B1
SCHEMBL21893814 0.73 DHFR (0.44) NFATC1GSK3BDYRK1AATRHSD11B1
SCHEMBL23937723 0.73 NFATC1 (0.36) NFATC1GSK3BDYRK1AATRHSD11B1
SCHEMBL20656340 0.73 NFATC1 (0.36) NFATC1GSK3BDYRK1AATRHSD11B1
SCHEMBL24654868 0.73 DYRK1A (0.56) CCR4NFATC1GSK3BDYRK1AMAPT
SCHEMBL25950689 0.72 PI4KA (0.31)
SCHEMBL15164815 0.70 RHEB (0.39) NFATC1GSK3BDYRK1AMAPTPIK3CB

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
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-9090561-B2 Acetylenic heteroaryl compounds ARIAD PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20130018046-A1 Acetylenic Heteroaryl Compounds ARIAD PHARMACEUTICALS, INC. (US) 2013-01-17 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 (4 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 CCR4 4703/4885NFATC1 4595/4885GSK3B 948/4885
US-20130018046-A1 Acetylenic Heteroaryl Compounds NAT1, AADAC, ACACA CCR4 4130/4885NFATC1 4547/4885GSK3B 2306/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR4 4703/4885NFATC1 4595/4885GSK3B 948/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CCR4 4703/4885NFATC1 4595/4885GSK3B 948/4885

“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.