SCHEMBL3315977

SCHEMBL3315977

O=C(NC1CCCCC1)c1cnn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.57
HRH3 Q9Y5N1 14/20 0.56
MLLT3 P42568 1/20 0.53
MLLT1 Q03111 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RIPK2 O43353 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
SCHEMBL3306992 0.99 HRH3 (0.56) ACKR3HRH3MLLT3MLLT1MEN1
SCHEMBL3310149 0.98 HRH3 (0.58) ACKR3HRH3MLLT3MLLT1MEN1
SCHEMBL3312877 0.86 HRH3 (0.50) HRH3
SCHEMBL3309141 0.85 HRH3 (0.52) ACKR3HRH3
SCHEMBL3310089 0.85 HRH3 (0.50) HRH3
SCHEMBL3310391 0.84 KMT2A (0.60) HRH3MEN1KMT2A
SCHEMBL3307490 0.83 HRH3 (0.48) HRH3
SCHEMBL3305550 0.83 HRH3 (0.50) HRH3
SCHEMBL3305433 0.83 HRH3 (0.55) ACKR3HRH3
SCHEMBL3308234 0.83 HRH3 (0.53) HRH3

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 ACKR3 503/4885HRH3 1/4885MLLT3 1776/4885

“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.