SCHEMBL18196011

SCHEMBL18196011

CC(C)(C)c1ccccc1-c1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.44
▸ CYP3A4 P08684 7/20 0.44
▸ CYP2C19 P33261 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 5/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ TSHR P16473 4/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TRPA1 O75762 1/20 0.39
▸ CA2 P00918 1/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 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
SCHEMBL28439751 0.82 CA2 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL17194969 0.82 CA2 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL9258894 0.79 KDM4E (0.50) CYP1A2ALDH1A1HSD17B10TDP1TSHR
SCHEMBL29904766 0.78 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL7011881 0.78 CYP1A2 (0.60) CYP1A2CYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL1194484 0.78 ALDH1A1 (0.55) CYP1A2ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30022592 0.78 KDM4E (0.48) CYP1A2ALDH1A1HSD17B10TDP1TSHR
SCHEMBL30578381 0.78 PTPRC (0.46) CYP1A2CYP2C19ALDH1A1TDP1TSHR
SCHEMBL17194933 0.77 ALDH1A1 (0.39) ALDH1A1CA2KDM4ECLK4
SCHEMBL19229862 0.76 ALDH1A1 (0.39) CYP1A2CYP3A4CYP2C19ALDH1A1TSHR

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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 — — US disclosed
US-9556190-B2 Piperidinyloxy lactone orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-9556190-B2 Piperidinyloxy lactone orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-31 — — US disclosed
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 — — US disclosed
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-11-03 — — 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 (3 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 767/4885CYP3A4 1831/4885CYP2C19 561/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 767/4885CYP3A4 1831/4885CYP2C19 561/4885
US-20160318944-A1 PIPERIDINYLOXY LACTONE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, CRHR1 CYP1A2 3121/4885CYP3A4 3823/4885CYP2C19 2398/4885

“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.

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