SCHEMBL3314846

SCHEMBL3314846

O=C1CCCN1c1cnn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.52
HRH1 P35367 2/20 0.49
KCNH2 Q12809 4/20 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
SCHEMBL13329105 0.98 HRH3 (0.52) HRH3HRH1KCNH2
SCHEMBL3311828 0.84 HRH3 (0.49) HRH3KCNH2
SCHEMBL3314500 0.82 HRH3 (0.52) HRH3KCNH2
SCHEMBL13329113 0.82 HRH3 (0.52) HRH3KCNH2
SCHEMBL3307454 0.80 HRH3 (0.49) HRH3KCNH2
SCHEMBL3305550 0.80 HRH3 (0.50) HRH3HRH1KCNH2
SCHEMBL3308476 0.76 HRH3 (0.67) HRH3KCNH2
SCHEMBL12445261 0.75 ALDH1A1 (0.53)
SCHEMBL3313103 0.75 MEN1 (0.55) HRH3HRH1KCNH2
SCHEMBL3309315 0.75 MEN1 (0.58) HRH3HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113776-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2010-05-06 US claimed
US-20100113776-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2010-05-06 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-20100113776-A1 PYRAZOLE DERIVATIVE HRH3, HRH4, HRH1 HRH3 1/4885HRH1 3/4885KCNH2 1314/4885

“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.