SCHEMBL17584670

SCHEMBL17584670

CC1(C)OC(c2ccc(F)cc2C#N)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ GFER P55789 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ FADS1 O60427 1/20 0.30

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
SCHEMBL24416920 0.77 CYP11B1 (0.42) KDM4ELMNAMAPTGFERHTR2A
SCHEMBL28514719 0.73 TRPV4 (0.36) PGR
SCHEMBL28507857 0.71 IMPDH2 (0.44) KDM4EMAPT
SCHEMBL18348160 0.71 PGR (0.44) PGR
SCHEMBL24877474 0.68 SLC6A2 (0.38) —
SCHEMBL2650777 0.68 LPL (0.44) GPR35
SCHEMBL28712582 0.67 CES2 (0.37) —
SCHEMBL573864 0.66 MAOB (0.53) KDM4E
SCHEMBL5115814 0.66 ADRA1D (0.43) —
SCHEMBL27187843 0.66 CYP11B1 (0.33) —

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
CN-107108566-B Substituted 2-azabicyclic compounds and their use as orexin receptor modulators 詹森药业有限公司 2020-11-24 — — CN disclosed
EP-3191468-B1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-12 — — EP disclosed
EP-3191468-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2017-07-19 — — EP disclosed
US-9611262-B2 Substituted 2-azabicycles and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 — — US disclosed
WO-2016040789-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 — — WO disclosed
US-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-03-17 — — 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 (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-20160075696-A1 SUBSTITUTED 2-AZABICYCLES AND THEIR USE AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, NPY2R PGR 614/4885GPR35 77/4885KDM4E 478/4885

“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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