SCHEMBL624499

SCHEMBL624499

O=C(O)COC1CCOc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
SSTR4 P31391 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.35
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
ALOX15 P16050 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
OPRL1 P41146 3/20 0.34
TRPV1 Q8NER1 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
SCHEMBL623491 0.82 POLB (0.43) SSTR4ALOX15NPC1RAB9A
SCHEMBL7300865 0.76 SSTR4 (0.42) SSTR4CNR1CNR2TRPV1
SCHEMBL30812977 0.76 POLB (0.44) SSTR4TRPV1
SCHEMBL9785817 0.76 POLB (0.44) SSTR4TRPV1
SCHEMBL8143471 0.75 PPARD (0.46) PTGDR2PPARGPPARD
SCHEMBL29960528 0.75 PPARD (0.46) PTGDR2PPARGPPARD
SCHEMBL7752724 0.74 SMN1; SMN2 (0.44) HTTNPC1RAB9A
SCHEMBL2092235 0.74 IDO1 (0.53) PTGDR2CYP11B1CYP11B2ATM
SCHEMBL30639030 0.74 IDO1 (0.53) PTGDR2CYP11B1CYP11B2ATM
SCHEMBL27720908 0.73 SSTR4 (0.40) SSTR4

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 7 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 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
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 PTGDR2 918/4885SSTR4 1466/4885CYP11B1 4263/4885

“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.