SCHEMBL3311014

SCHEMBL3311014

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-n3cc(C(=O)N4CCCC4)cn3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.50
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
CHEK2 O96017 1/20 0.48
POLB P06746 1/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
NPBWR1 P48145 1/20 0.47
MCHR1 Q99705 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3310364 0.87 ALDH1A1 (0.48) ALDH1A1HTTPOLBKMT2AHRH3
SCHEMBL3301884 0.85 GPR119 (0.51) GPR119ALDH1A1CHEK2POLBKMT2A
SCHEMBL3310315 0.83 HRH3 (0.61) ALDH1A1HTTKMT2AHRH3
SCHEMBL3310263 0.83 KMT2A (0.55) ALDH1A1HTTPOLBKMT2AHRH3
SCHEMBL3310576 0.83 HRH3 (0.47) ALDH1A1HTTPOLBKMT2AHRH3
SCHEMBL3308511 0.82 MEN1 (0.55) ALDH1A1HTTKMT2AHRH3
SCHEMBL3309315 0.82 MEN1 (0.58) ALDH1A1HTTKMT2AHRH3
SCHEMBL3313879 0.82 ALDH1A1 (0.48) ALDH1A1HTTPOLBKMT2AHRH3
SCHEMBL3311278 0.81 KMT2A (0.57) ALDH1A1HTTKMT2AHRH3
SCHEMBL3310391 0.81 KMT2A (0.60) ALDH1A1HTTKMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GPR119 7/4885ALDH1A1 2729/4885HTT 125/4885

“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.