Sugi Predict

Sugi Predict / Compounds / SCHEMBL622196

SCHEMBL622196

SCHEMBL622196

O=C(Cn1ccc2ccccc2c1=O)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 1/20 0.52
▸ LMNA P02545 4/20 0.51
▸ USP2 O75604 3/20 0.51
▸ MAPK1 P28482 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GFER P55789 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ POLB P06746 2/20 0.41

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
SCHEMBL623295 0.86 KDM4E (0.55) CYP3A4CYP2C19KDM4EALDH1A1SMN1; SMN2
SCHEMBL624183 0.79 ACACB (0.41) KDM4EALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL623227 0.76 HSD17B10 (0.45) CYP2C19SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL623662 0.76 SMN1; SMN2 (0.63) CYP2C19KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL624184 0.75 CXCR3 (0.47) HSD17B10
SCHEMBL623073 0.75 HSD17B10 (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1GAA
SCHEMBL622994 0.74 LMNA (0.50) KDM4EALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL623698 0.74 P2RY12 (0.45) KDM4EALDH1A1LMNAMAPK1MEN1
SCHEMBL623245 0.73 TSHR (0.53) KDM4EALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL623214 0.73 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPTLMNA

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-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
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 CYP3A4 4454/4885CYP2C19 4608/4885KDM4E 1537/4885

“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.