SCHEMBL622833

SCHEMBL622833

CC(C)COc1cc(N2CCN(C(=O)C(=O)c3ccccc3)CC2)ncn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38
CHRM4 P08173 1/20 0.38
FAAH O00519 2/20 0.38
MGLL Q99685 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 1/20 0.38
P2RY12 Q9H244 1/20 0.37
HPGD P15428 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
SCHEMBL15006743 0.83 KMT2A (0.50) SMN1; SMN2NPC1ALDH1A1ATMKMT2A
SCHEMBL15006772 0.82 LOXL2 (0.38) LOXL2SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL624464 0.82 KMT2A (0.54) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL15025401 0.82 RET (0.46) ALDH1A1
SCHEMBL624236 0.82 RET (0.46) ALDH1A1
SCHEMBL624235 0.82 RET (0.46) ALDH1A1
SCHEMBL623225 0.81 RET (0.43) LOXL2SMN1; SMN2FAAH
SCHEMBL622875 0.81 HSD17B10 (0.53) LOXL2ALDH1A1CHRM4MEN1KMT2A
SCHEMBL623675 0.81 ROCK2 (0.45) LOXL2ALDH1A1
SCHEMBL623261 0.81 RET (0.43) LOXL2SMN1; SMN2FAAH

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 LOXL2 3192/4885SMN1; SMN2 598/4885NPC1 785/4885

“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.