SCHEMBL1672148

SCHEMBL1672148

c1ccc(-c2ccnc(N3CC4CCNCC43)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.57
HCRTR2 O43614 13/20 0.57
CHRNB2 P17787 5/20 0.49
CHRNB4 P30926 5/20 0.49
CHRNA3 P32297 5/20 0.49
CHRNA4 P43681 5/20 0.49
USP30 Q70CQ3 2/20 0.44

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
SCHEMBL1672390 0.78 HCRTR1 (0.50) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL1671685 0.77 HTR2C (0.68) HCRTR1HCRTR2CHRNB2CHRNB4CHRNA3
SCHEMBL928058 0.75 CHRNA7 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15578384 0.75 ROCK1 (0.47) HCRTR1HCRTR2USP30
SCHEMBL29384430 0.75 ROCK1 (0.47) HCRTR1HCRTR2USP30
SCHEMBL16933690 0.75 ROCK1 (0.47) HCRTR1HCRTR2USP30
SCHEMBL6924444 0.74 HCRTR1 (0.58) HCRTR1HCRTR2CHRNB2CHRNA4
SCHEMBL2598431 0.73 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1672855 0.73 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL7612196 0.72 ROCK2 (0.50) HCRTR1HCRTR2USP30

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 HCRTR1 2/4885HCRTR2 1/4885CHRNB2 245/4885

“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.