SCHEMBL622338

SCHEMBL622338

O=C(Cn1nc2ccccc2n1)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.43
DCK P27707 2/20 0.40
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CHRM4 P08173 8/20 0.38
CHRM2 P08172 3/20 0.38
CHRM5 P08912 3/20 0.38
CHRM1 P11229 3/20 0.38
CHRM3 P20309 3/20 0.38
NAE1 Q13564 1/20 0.37
UBA3 Q8TBC4 1/20 0.37
S1PR1 P21453 1/20 0.37
RECQL P46063 1/20 0.36
ELOVL1 Q9BW60 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
SCHEMBL624183 0.81 ACACB (0.41) ACACBDCKHSD17B10SMN1; SMN2KDM4E
SCHEMBL624215 0.81 LMNA (0.42) DCKHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL624559 0.80 GRM5 (0.59) ACACB
SCHEMBL622696 0.79 HSD17B10 (0.43) ACACBHSD17B10CHRM4CHRM2CHRM5
SCHEMBL624069 0.79 KMT2A (0.49) ACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL623906 0.78 PTK2 (0.54) ACACBDCKCHRM4
SCHEMBL623169 0.78 TSHR (0.53) ACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL624230 0.77 PDE2A (0.46) ACACBHSD17B10KDM4ECHRM4ELOVL1
SCHEMBL624156 0.77 ENPP2 (0.48) ACACBHSD17B10SMN1; SMN2ALDH1A1CHRM4
SCHEMBL622943 0.76 LMNA (0.49) ACACBSMN1; SMN2KDM4ENAE1UBA3

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 ACACB 544/4885DCK 3698/4885HSD17B10 2375/4885

“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.