SCHEMBL623231

SCHEMBL623231

C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.51
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.44
CHRM4 P08173 1/20 0.43
HPGD P15428 1/20 0.41
LRRK2 Q5S007 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ELOVL1 Q9BW60 3/20 0.40
DCK P27707 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
SCHEMBL623232 1.00 ACACB (0.51) ACACBKDM4EALDH1A1ALOX15KMT2A
SCHEMBL623274 0.84 KDM4E (0.49) KDM4EALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL623263 0.84 KDM4E (0.49) KDM4EALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL624156 0.82 ENPP2 (0.48) ACACBALDH1A1KMT2AHSD17B10LMNA
SCHEMBL623587 0.81 L3MBTL1 (0.48) ACACBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL624638 0.80 MAPT (0.45) ACACBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL624227 0.74 PTGS2 (0.43) ACACBLMNACHRM4ELOVL1DCK
SCHEMBL622875 0.74 HSD17B10 (0.53) KDM4EALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL622874 0.74 HSD17B10 (0.53) KDM4EALDH1A1ALOX15KMT2AHSD17B10
SCHEMBL623985 0.74 ACACB (0.44) ACACBKDM4EALDH1A1KMT2AHSD17B10

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 544/4885KDM4E 1537/4885ALDH1A1 2071/4885

“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.