SCHEMBL5956957

SCHEMBL5956957

O=c1cc(-c2ccc(OC3CCN(C4CCCC4)CC3)nc2)ccn1CCF

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.59
KCNH2 Q12809 7/20 0.55
ADRA1A P35348 4/20 0.41
TDO2 P48775 2/20 0.40

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
SCHEMBL2538725 0.99 HRH3 (0.60) HRH3KCNH2ADRA1ATDO2
SCHEMBL2534496 0.89 HRH3 (0.48) HRH3KCNH2ADRA1A
SCHEMBL2533358 0.88 HRH3 (0.48) HRH3KCNH2ADRA1A
SCHEMBL2539966 0.86 HRH3 (0.64) HRH3KCNH2ADRA1ATDO2
SCHEMBL2115596 0.86 HRH3 (0.53) HRH3KCNH2ADRA1A
SCHEMBL2114237 0.85 HRH3 (0.53) HRH3KCNH2ADRA1A
SCHEMBL12226790 0.78 HRH3 (0.58) HRH3KCNH2
SCHEMBL2542652 0.77 HRH3 (0.72) HRH3KCNH2ADRA1A
SCHEMBL2535241 0.77 HRH3 (0.72) HRH3KCNH2ADRA1A
SCHEMBL2539790 0.77 HRH3 (0.49) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HRH3 1/4885KCNH2 1053/4885ADRA1A 271/4885

“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.