SCHEMBL1672440

SCHEMBL1672440

O=C(c1ccccc1-c1ccccc1)N1CC2CNC2C1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
HCRTR2 O43614 18/20 0.54
HCRTR1 O43613 17/20 0.54

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
Hydrochloric Acid SCHEMBL9960124 0.87 HCRTR1 (0.53) TSHRRECQLHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL9960122 0.87 HCRTR1 (0.53) TSHRRECQLHCRTR2HCRTR1
SCHEMBL1671500 0.85 CHRNA4 (0.63) TSHRRECQLHCRTR2HCRTR1
SCHEMBL1672821 0.81 HCRTR1 (0.58) HCRTR2HCRTR1
SCHEMBL6901250 0.81 HCRTR1 (0.52) HCRTR2HCRTR1
SCHEMBL1671929 0.77 HCRTR1 (0.56) TSHRHCRTR2HCRTR1
SCHEMBL6901212 0.75 HCRTR1 (0.57) HCRTR2HCRTR1
SCHEMBL30790452 0.75 CHRNA4 (0.54) TSHRRECQLHCRTR2HCRTR1
Hydrochloric Acid SCHEMBL9954804 0.74 CYP46A1 (0.52) HCRTR2HCRTR1
SCHEMBL3644384 0.70 GAA (0.49) TSHR

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 TSHR 317/4885RECQL 4357/4885HCRTR2 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.