SCHEMBL622237

SCHEMBL622237

CC(C)COc1cc(N2CCN(C(=O)c3ccc(Cl)cc3O)CC2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
SPR P35270 1/20 0.40
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL621932 0.86 KDM4E (0.46) ALDH1A1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL624044 0.78 CKS1B (0.41) ALDH1A1CYP2C19SMN1; SMN2POLB
SCHEMBL622699 0.78 MGLL (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL623690 0.78 POLB (0.51) HSD17B10ALDH1A1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL623989 0.77 MAPT (0.46) HSD17B10ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL623230 0.77 NAAA (0.49) HSD17B10ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL623239 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2L3MBTL1LMNATSHR
SCHEMBL623173 0.77 ALDH1A1 (0.41) HSD17B10ALDH1A1KDM4ECYP1A2CYP2C9
SCHEMBL622785 0.76 GAA (0.41) ALDH1A1KDM4ETSHRKMT2ANPC1
SCHEMBL624750 0.76 LMNA (0.47) HSD17B10ALDH1A1KDM4ECYP2C9CYP2C19

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-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-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 HSD17B10 2375/4885ALDH1A1 2071/4885KDM4E 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.