SCHEMBL14883121

SCHEMBL14883121

CC(C)c1c(F)cccc1-n1nccn1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.38
HCRTR2 O43614 15/20 0.38
USP1 O94782 2/20 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
SCHEMBL14883241 0.80 HCRTR1 (0.34) HCRTR1HCRTR2
SCHEMBL10109662 0.76 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL22040918 0.75 NOTUM (0.43) HCRTR1HCRTR2
SCHEMBL17145963 0.74 MGLL (0.43) HCRTR1HCRTR2
SCHEMBL807556 0.73 CES2 (0.41)
SCHEMBL18594654 0.72 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL14883176 0.71 DPP4 (0.42) HCRTR1HCRTR2
SCHEMBL18195988 0.71 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL12862574 0.69 FAAH (0.48) HCRTR1HCRTR2
SCHEMBL19732402 0.69 GABRA1 (0.38) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-9156819-B2 2-pyridyloxy-4-nitrile orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-10-13 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 US disclosed
US-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2013-04-25 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-20130102619-A1 2-PYRIDYLOXY-4-NITRILE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NTSR2 HCRTR1 2/4885HCRTR2 1/4885USP1 2950/4885

“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.