SCHEMBL620825

SCHEMBL620825

O=C(COc1cccc2[nH]ccc12)N1CCN(c2cc(OCC(F)(F)F)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ENPP2 Q13822 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ IDE P14735 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GOT1 P17174 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ GAA P10253 1/20 0.37

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
SCHEMBL622758 0.86 KDM4E (0.44) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL624147 0.85 MAPK14 (0.48) KDM4EMAPTRECQLLMNAHTT
SCHEMBL623214 0.81 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL624103 0.79 ENPP2 (0.50) ALDH1A1HSD17B10MAPTTSHRENPP2
SCHEMBL624370 0.78 ENPP2 (0.54) KDM4EALDH1A1MAPTTSHRRECQL
SCHEMBL624545 0.77 RBP4 (0.49) ALDH1A1MAPTTSHRLMNAHTT
SCHEMBL623662 0.77 SMN1; SMN2 (0.63) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL624114 0.76 TSHR (0.43) TSHRLMNAACACBKMT2A
SCHEMBL624158 0.73 ENPP2 (0.54) KDM4EALDH1A1HSD17B10MAPTTSHR
SCHEMBL624183 0.72 ACACB (0.41) KDM4EALDH1A1HSD17B10MAPTRECQL

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 KDM4E 1537/4885ALDH1A1 2071/4885HSD17B10 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.

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