SCHEMBL3312059

SCHEMBL3312059

O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc(OC3CCN(C4CCCC4)CC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.51
ACKR3 P25106 1/20 0.49
KCNH2 Q12809 1/20 0.48
HRH1 P35367 1/20 0.48

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
SCHEMBL3311303 0.98 HRH3 (0.51) HRH3HRH1
SCHEMBL3309200 0.96 HRH3 (0.46) HRH3ACKR3HRH1
SCHEMBL3309244 0.91 HRH3 (0.51) HRH3
SCHEMBL3308234 0.91 HRH3 (0.53) HRH3
SCHEMBL3310089 0.91 HRH3 (0.50) HRH3
SCHEMBL3307505 0.89 HRH3 (0.51) HRH3KCNH2HRH1
SCHEMBL3308224 0.87 HRH3 (0.49) HRH3ACKR3KCNH2HRH1
SCHEMBL3310558 0.85 HRH3 (0.50) HRH3
SCHEMBL3308899 0.85 HRH3 (0.49) HRH3ACKR3KCNH2HRH1
SCHEMBL3306992 0.84 HRH3 (0.56) HRH3ACKR3

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 1/4885ACKR3 503/4885KCNH2 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.