SCHEMBL623916

SCHEMBL623916

CC(C)COc1cc(N2CCN(C(=O)CCn3ccc4ccccc43)CC2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
HSD17B10 Q99714 5/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 4/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
CXCR3 P49682 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36

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 0.81 KDM4E (0.55) LMNAHSD17B10MAPTSMN1; SMN2MAPK1
SCHEMBL622716 0.79 NPC1 (0.53) HSD17B10MAPTSMN1; SMN2MAPK1CYP3A4
SCHEMBL622627 0.79 DRD2 (0.49) HSD17B10MAPTMAPK1DRD2DRD3
SCHEMBL623228 0.79 MAPT (0.54) LMNAHSD17B10MAPTSMN1; SMN2MAPK1
SCHEMBL624479 0.77 HSD17B10 (0.46) HSD17B10MAPTSMN1; SMN2CYP3A4DRD2
SCHEMBL624464 0.77 KMT2A (0.54) LMNAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL623221 0.77 SCN7A (0.49) LMNAHSD17B10MAPTSMN1; SMN2ALDH1A1
SCHEMBL624477 0.76 MEN1 (0.45) LMNAHSD17B10MAPTSMN1; SMN2MAPK1
SCHEMBL624044 0.76 CKS1B (0.41) SMN1; SMN2CYP2C19ALDH1A1POLB
SCHEMBL624350 0.76 PTGS1 (0.43) LMNAHSD17B10MAPTSMN1; SMN2MAPK1

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 10 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
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 LMNA 2282/4885HSD17B10 2375/4885MAPT 3432/4885

“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.