SCHEMBL1672164

SCHEMBL1672164

FC(F)(F)c1ccnc(N2C[C@@H]3CCNC[C@@H]32)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.51
HCRTR1 O43613 6/20 0.49
HCRTR2 O43614 6/20 0.49
CHRNB2 P17787 11/20 0.47
CHRNB4 P30926 11/20 0.47
CHRNA3 P32297 11/20 0.47
CHRNA4 P43681 11/20 0.47
MAPK1 P28482 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL25154277 0.81 ADRB1 (0.59) ADRB1MAPK1HTR2AHTR2CHTR2B
SCHEMBL30478521 0.81 ADRB1 (0.59) ADRB1MAPK1HTR2AHTR2CHTR2B
SCHEMBL1673206 0.81 CHRNB2 (0.52) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL30478554 0.80 ADRB1 (0.58) ADRB1MAPK1HTR2AHTR2CHTR2B
SCHEMBL1673211 0.78 HCRTR1 (0.48) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL11993831 0.76 ADRB1 (0.49) ADRB1HCRTR1HCRTR2MAPK1
SCHEMBL7954354 0.76 ADRB1 (0.49) ADRB1HCRTR1HCRTR2MAPK1
SCHEMBL1671685 0.75 HTR2C (0.68) ADRB1HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL12554158 0.73 ADRB1 (0.46) ADRB1HCRTR1HCRTR2MAPK1
SCHEMBL1962412 0.73 ADRB1 (0.46) ADRB1HCRTR1HCRTR2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
US-8680275-B2 Fused heterocyclic compounds as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2491034-B1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-12-18 EP disclosed
EP-2491034-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-08-29 EP disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
US-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN RESEARCH NV (BE) 2012-08-09 US disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO disclosed
WO-2011050200-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO 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-20120202783-A1 FUSED HETEROCYCLIC COMPOUNDS AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR ADRB1 281/4885HCRTR1 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.