SCHEMBL623960

SCHEMBL623960

Cn1nc(C(F)(F)F)cc1C(=O)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.42
ACACB O00763 4/20 0.41
KCNT1 Q5JUK3 1/20 0.37
VNN1 O95497 1/20 0.36
CTSK P43235 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
ATM Q13315 1/20 0.34
SLC6A9 P48067 1/20 0.34
EPHX2 P34913 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL623188 0.82 KCNT1 (0.40) PIK3CDACACBKCNT1CTSKATM
SCHEMBL623587 0.75 L3MBTL1 (0.48) ACACBMEN1KMT2A
SCHEMBL624230 0.75 PDE2A (0.46) ACACBMEN1KMT2A
SCHEMBL624623 0.75 DRD2 (0.49) ACACBATMKCNH2MEN1KMT2A
SCHEMBL623302 0.75 GPR119 (0.54) ACACBGPR119
SCHEMBL624190 0.75 ACACB (0.41) ACACB
SCHEMBL623985 0.74 ACACB (0.44) ACACBMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL624202 0.74 ACACB (0.40) PIK3CDACACBSLC6A9MEN1CYP1A2
SCHEMBL623193 0.73 ALDH1A1 (0.61) ACACBMEN1KMT2A
SCHEMBL623285 0.72 ACACB (0.45) ACACBMEN1KMT2A

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 PIK3CD 2299/4885ACACB 544/4885KCNT1 88/4885

“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.