SCHEMBL623745

SCHEMBL623745

O=C(C1Cc2ccccc2O1)N1CCN(c2cc(OC3CCC3)ncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ PDE2A O00408 1/20 0.44
▸ CHRM4 P08173 12/20 0.42
▸ ACACB O00763 2/20 0.41
▸ CHRM2 P08172 3/20 0.40
▸ CHRM5 P08912 3/20 0.40
▸ CHRM1 P11229 3/20 0.40
▸ CHRM3 P20309 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.40
▸ GAA P10253 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
SCHEMBL622712 0.83 HPGD (0.49) HPGDTSHRPDE2ACHRM4CHRM2
SCHEMBL10204474 0.76 ACACB (0.40) CHRM4ACACBCHRM2CHRM5CHRM1
SCHEMBL623285 0.76 ACACB (0.45) CHRM4ACACBCHRM2CHRM5CHRM1
SCHEMBL623906 0.76 PTK2 (0.54) TSHRCHRM4ACACB
SCHEMBL623169 0.74 TSHR (0.53) TSHRACACBKDM4EGAA
SCHEMBL623302 0.73 GPR119 (0.54) ACACB
SCHEMBL623193 0.73 ALDH1A1 (0.61) TSHRCHRM4ACACBCHRM2CHRM5
SCHEMBL624069 0.73 KMT2A (0.49) ACACBKDM4EHTTGAA
SCHEMBL622338 0.72 ACACB (0.43) CHRM4ACACBCHRM2CHRM5CHRM1
SCHEMBL624559 0.72 GRM5 (0.59) ACACB

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 HPGD 967/4885TSHR 1643/4885PDE2A 475/4885

“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.

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