SCHEMBL3305191

SCHEMBL3305191

O=C(c1cnn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c1)N1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.47
HRH1 P35367 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 6/20 0.45
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3309315 0.89 MEN1 (0.58) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3313103 0.89 MEN1 (0.55) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3310391 0.88 KMT2A (0.60) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3308511 0.87 MEN1 (0.55) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3311278 0.86 KMT2A (0.57) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3308265 0.86 HRH3 (0.56) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3314509 0.85 KMT2A (0.51) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3309003 0.84 HRH3 (0.46) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3308883 0.84 HRH3 (0.56) HRH3HRH1MEN1KMT2AKCNH2
SCHEMBL3306714 0.84 HRH3 (0.56) HRH3HRH1MEN1KMT2AKCNH2

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 4 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
US-20100113776-A1 PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO.,LTD. (JP) 2010-05-06 US disclosed
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 3/4885MEN1 3118/4885

“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.