SCHEMBL624124

SCHEMBL624124

CC(C)COc1cc(N2CCN(C(=O)c3n[nH]c4ccc(F)cc34)CC2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.45
RBP4 P02753 1/20 0.44
NTRK1 P04629 1/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GALR2 O43603 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL624128 0.89 LRRK2 (0.52) LRRK2RBP4
SCHEMBL623147 0.88 ALDH1A1 (0.52) LRRK2LMNAMAPTHTT
SCHEMBL623894 0.87 RBP4 (0.51) LRRK2RBP4NTRK1AHR
SCHEMBL622195 0.83 RBP4 (0.49) LRRK2RBP4AHR
SCHEMBL624356 0.82 DRD2 (0.41) KDM4EGALR2LMNAMAPTHTT
SCHEMBL623690 0.81 POLB (0.51) KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL624204 0.79 TSHR (0.43) LRRK2KDM4EGALR2LMNAMAPT
SCHEMBL624574 0.78 PLA2G1B (0.41) LRRK2RBP4KDM4ELMNAMAPT
SCHEMBL622519 0.77 ALDH1A1 (0.51) LRRK2LMNAMAPTHTTSMN1; SMN2
SCHEMBL623202 0.77 PTGS2 (0.43) LMNAMAPTHTTSMN1; SMN2

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 LRRK2 2278/4885RBP4 4809/4885NTRK1 2967/4885

“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.