Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069875

SCHEMBL3069875

SCHEMBL3069875

Cc1nn(CC2CCCCO2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.44
▸ HTR2C P28335 4/20 0.39
▸ SLC6A4 P31645 4/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ MAP3K14 Q99558 6/20 0.38
▸ HSD17B10 Q99714 3/20 0.37
▸ TGFBR1 P36897 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ GLA P06280 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL3080570 0.97 AR (0.44) ARAPOBEC3GMAP3K14HSD17B10TGFBR1
SCHEMBL3077291 0.81 AR (0.46) ARMAP3K14NSD2GAA
SCHEMBL3088652 0.79 PGR (0.45) ARMAP3K14
SCHEMBL3073267 0.74 AR (0.50) ARNSD2LMNATSHRSMN1; SMN2
SCHEMBL3081229 0.74 AR (0.50) ARNSD2KDM4EALDH1A1GAA
SCHEMBL3076734 0.74 AR (0.50) ARNSD2KDM4EALDH1A1HPGD
SCHEMBL3077429 0.74 AR (0.50) ARNSD2KDM4EALDH1A1HPGD
SCHEMBL3070012 0.74 AR (0.50) ARNSD2KDM4EALDH1A1HPGD
SCHEMBL3082042 0.74 AR (0.42) ARHSD17B10NSD2KDM4EHTT
SCHEMBL3081376 0.73 AR (0.49) ARHTR2CNSD2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 AR 1/4885HTR2C 407/4885SLC6A4 1451/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 AR 1/4885HTR2C 400/4885SLC6A4 1412/4885

“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.