SCHEMBL623239

SCHEMBL623239

CC(C)COc1cc(N2CCN(C(=O)c3cccs3)CC2)ncn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
KCNA5 P22460 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL624214 0.82 PRLHR (0.40) ALDH1A1TSHRMAPT
SCHEMBL623703 0.82 HRH4 (0.54) MAPTL3MBTL1LMNA
SCHEMBL623897 0.81 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2MAPTGAA
SCHEMBL624208 0.81 SCD5 (0.57) ALDH1A1TSHRSMN1; SMN2MAPTNPC1
SCHEMBL623690 0.80 POLB (0.51) ALDH1A1SMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL623267 0.80 KCNK3 (0.43) ALDH1A1TSHRSMN1; SMN2
SCHEMBL623783 0.79 PTGDR2 (0.43)
SCHEMBL622299 0.79 ELOVL1 (0.40) ALDH1A1TSHR
SCHEMBL623746 0.79 KCNK3 (0.43) TSHRSMN1; SMN2MAPTL3MBTL1LMNA
SCHEMBL622970 0.79 KMT2A (0.41) ALDH1A1GAA

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 ALDH1A1 2071/4885TSHR 1643/4885SMN1; SMN2 598/4885

“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.