SCHEMBL3311278

SCHEMBL3311278

O=C(c1cnn(-c2ccc(OC3CCN(C4CCC4)CC3)cc2)c1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
HRH3 Q9Y5N1 16/20 0.54
HRH1 P35367 2/20 0.54
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
KCNH2 Q12809 5/20 0.50
CYP2D6 P10635 1/20 0.46

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
SCHEMBL3308511 0.99 MEN1 (0.55) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3310391 0.98 KMT2A (0.60) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3309315 0.97 MEN1 (0.58) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3313103 0.95 MEN1 (0.55) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3315917 0.93 HRH3 (0.49) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3308883 0.91 HRH3 (0.56) KMT2AMEN1HRH3HRH1KCNH2
SCHEMBL3306714 0.91 HRH3 (0.56) KMT2AMEN1HRH3HRH1KCNH2
SCHEMBL3314509 0.91 KMT2A (0.51) KMT2AMEN1HRH3HRH1ALDH1A1
SCHEMBL3308265 0.89 HRH3 (0.56) KMT2AMEN1HRH3HRH1KCNH2
SCHEMBL3310831 0.88 HRH3 (0.47) KMT2AMEN1HRH3HRH1ALDH1A1

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 KMT2A 340/4885MEN1 3118/4885HRH3 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.