Sugi Predict

Sugi Predict / Compounds / SCHEMBL623188

SCHEMBL623188

SCHEMBL623188

CC(C)COc1cc(N2CCN(C(=O)c3cc(C(F)(F)F)nn3C)CC2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNT1 Q5JUK3 3/20 0.40
▸ PIK3CD O00329 1/20 0.38
▸ SLC6A9 P48067 3/20 0.36
▸ ACACB O00763 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ITGB2 P05107 2/20 0.34
▸ ICAM1 P05362 2/20 0.34
▸ ITGAL P20701 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CCR2 P41597 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL624224 0.89 PIK3CD (0.35) PIK3CDSLC6A9ACACBRAB9AITGB2
SCHEMBL623711 0.83 PKM (0.41) ACACBITGB2ICAM1ITGALIRAK4
SCHEMBL623290 0.83 PSMB8 (0.40) KCNT1ACACBCYP1A2CYP2C9CYP2C19
SCHEMBL623960 0.82 PIK3CD (0.42) KCNT1PIK3CDSLC6A9ACACBATM
SCHEMBL623270 0.81 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19HRH4
SCHEMBL624166 0.81 TACR3 (0.38) SLC6A9ACACBITGB2ICAM1ITGAL
SCHEMBL624193 0.79 TACR3 (0.42) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL624375 0.79 HRH3 (0.37) ACACBITGB2ICAM1ITGALIRAK4
SCHEMBL624202 0.78 ACACB (0.40) PIK3CDSLC6A9ACACBRAB9AITGB2
SCHEMBL623300 0.78 ITGB2 (0.37) ACACBITGB2ICAM1ITGALMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US claimed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US claimed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — WO claimed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 — — US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 — — US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — WO 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G KCNT1 88/4885PIK3CD 2299/4885SLC6A9 1860/4885

“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.