Sugi Predict

Sugi Predict / Compounds / SCHEMBL624199

SCHEMBL624199

SCHEMBL624199

CC(C)COc1cc(N2CCN(C(=O)c3cc(-c4ccccc4)n(C)n3)CC2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TACR2 P21452 1/20 0.48
▸ TACR1 P25103 1/20 0.48
▸ TACR3 P29371 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KCNH2 Q12809 1/20 0.45
▸ PDE2A O00408 1/20 0.41
▸ MGLL Q99685 7/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ NR2E1 Q9Y466 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.37
▸ PHGDH O43175 1/20 0.37

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
SCHEMBL624504 0.87 CYP2C19 (0.45) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL623692 0.84 HRH4 (0.47) KCNH2MGLLALDH1A1KDM4EHPGD
SCHEMBL624384 0.84 MEN1 (0.34) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL623270 0.84 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL624208 0.83 SCD5 (0.57) ALDH1A1HPGD
SCHEMBL624228 0.82 HTR2A (0.49) MGLLALDH1A1MDM2MCL1NR2E1
SCHEMBL623770 0.81 PSMB8 (0.38) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL623711 0.81 PKM (0.41) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL623783 0.81 PTGDR2 (0.43) MGLL
SCHEMBL624142 0.81 ALDH1A1 (0.60) ALDH1A1KDM4EHPGD

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 CYP1A2 3527/4885CYP3A4 4454/4885CYP2D6 4010/4885

“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.