SCHEMBL2537686

SCHEMBL2537686

Brc1ccc(OC2CCN(C3CCCC3)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.57
KCNH2 Q12809 3/20 0.54
DGAT1 O75907 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2005954 0.97 HRH3 (0.57) HRH3KCNH2DGAT1
SCHEMBL20217326 0.86 HRH3 (0.46) HRH3KCNH2DGAT1IRAK4
SCHEMBL16292286 0.86 HRH3 (0.44) HRH3KCNH2DGAT1IRAK4
SCHEMBL1928105 0.85 DGAT1 (0.47) HRH3KCNH2DGAT1
SCHEMBL625001 0.83 DGAT1 (0.46) HRH3KCNH2DGAT1
SCHEMBL4000064 0.81 DGAT1 (0.47) HRH3KCNH2DGAT1
SCHEMBL30296157 0.81 DGAT1 (0.47) HRH3KCNH2DGAT1
SCHEMBL15633157 0.81 DGAT1 (0.49) HRH3KCNH2DGAT1
SCHEMBL2536718 0.81 HRH3 (0.44) HRH3KCNH2MEN1KMT2A
SCHEMBL3617804 0.81 TDO2 (0.49) HRH3DGAT1

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
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HRH3 1/4885KCNH2 1053/4885DGAT1 2903/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HRH3 1/4885KCNH2 1611/4885DGAT1 3105/4885

“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.