SCHEMBL622874

SCHEMBL622874

CC(C)COc1cc(N2CCN(C(=O)[C@@H](C)Oc3ccccc3)CC2)ncn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.53
ALOX15 P16050 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.48
PARP1 P09874 6/20 0.42
CHRM4 P08173 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
TTR P02766 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL622875 1.00 HSD17B10 (0.53) HSD17B10ALOX15KMT2AKDM4EALDH1A1
SCHEMBL623274 0.90 KDM4E (0.49) HSD17B10ALOX15KMT2AKDM4EALDH1A1
SCHEMBL623263 0.90 KDM4E (0.49) HSD17B10ALOX15KMT2AKDM4EALDH1A1
SCHEMBL624235 0.84 RET (0.46) KDM4EALDH1A1
SCHEMBL15025401 0.84 RET (0.46) KDM4EALDH1A1
SCHEMBL624464 0.84 KMT2A (0.54) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL624236 0.84 RET (0.46) KDM4EALDH1A1
SCHEMBL623675 0.84 ROCK2 (0.45) HSD17B10KDM4EALDH1A1TSHRLOXL2
SCHEMBL623225 0.84 RET (0.43) HSD17B10KDM4ETSHRLOXL2
SCHEMBL623261 0.84 RET (0.43) HSD17B10KDM4ETSHRLOXL2

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 HSD17B10 2375/4885ALOX15 2323/4885KMT2A 1431/4885

“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.