SCHEMBL624486

SCHEMBL624486

CC(C)COc1cc(N2CCN(C(=O)CNC(=O)c3ccc(F)cc3)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
VDR P11473 1/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
EGFR P00533 1/20 0.43
ERBB3 P21860 1/20 0.43
ELOVL1 Q9BW60 4/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL623276 0.91 KDM4E (0.46) VDRRAB9ASMN1; SMN2ALDH1A1EGFR
SCHEMBL15006743 0.91 KMT2A (0.50) RAB9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL623690 0.85 POLB (0.51) SMN1; SMN2ALDH1A1ELOVL1KMT2AKDM4E
SCHEMBL623990 0.85 EPHX2 (0.43) KDM4ELMNAMAPT
SCHEMBL12473598 0.84 LRRK2 (0.38) ALDH1A1ELOVL1KMT2AKDM4EP2RY12
SCHEMBL623234 0.84 ELOVL1 (0.51) SMN1; SMN2ELOVL1KMT2AKDM4EMAPT
SCHEMBL622519 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1ELOVL1KMT2ALMNA
SCHEMBL624188 0.81 MAPT (0.46) RAB9ASMN1; SMN2ALDH1A1ELOVL1KMT2A
SCHEMBL624480 0.81 P2RY12 (0.44) RAB9ASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL622950 0.80 MAPT (0.49) RAB9ASMN1; SMN2ALDH1A1ELOVL1LMNA

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 THRA 1587/4885VDR 3872/4885RAB9A 2419/4885

“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.