SCHEMBL14883243

SCHEMBL14883243

CC(C)c1ccc(F)cc1-n1nccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.39
HCRTR1 O43613 5/20 0.37
HCRTR2 O43614 5/20 0.37
CYP1A2 P05177 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
F2RL1 P55085 2/20 0.35

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
SCHEMBL12179271 0.86 ALK (0.46) ALKHCRTR1HCRTR2
SCHEMBL14883177 0.80 LMNA (0.46) HCRTR1HCRTR2
SCHEMBL14883242 0.79 LMNA (0.43) HCRTR1HCRTR2HTR2AHTR2C
SCHEMBL12891570 0.77 F2RL1 (0.57) CYP1A2F2RL1
SCHEMBL12179281 0.76 ALK (0.45) ALKHCRTR1HCRTR2CYP1A2
SCHEMBL12179501 0.76 ALK (0.45) ALKHCRTR1HCRTR2CYP1A2
SCHEMBL2594661 0.76 ALK (0.45) ALKHCRTR1HCRTR2CYP1A2
SCHEMBL14883190 0.76 HCRTR1 (0.43) ALKHCRTR1HCRTR2
SCHEMBL14886152 0.76 HCRTR1 (0.40) HCRTR1HCRTR2CYP1A2
SCHEMBL14885650 0.75 CYP19A1 (0.40) 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 ALK 2481/4885HCRTR1 2/4885HCRTR2 1/4885

“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.