SCHEMBL624539

SCHEMBL624539

CC(C)COc1cc(N2CCN(C(=O)c3cnc4ccccc4c3)CC2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.44
▸ ACACB O00763 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ CAPN1 P07384 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CCR3 P51677 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ FASN P49327 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PIK3CD O00329 2/20 0.40
▸ PIK3CA P42336 2/20 0.40
▸ MTOR P42345 1/20 0.40

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
SCHEMBL623189 0.86 PTK2 (0.51) MGLLMEN1KMT2APOLBDPP4
SCHEMBL624496 0.84 TSHR (0.53) MGLLMEN1KMT2ADPP4ALDH1A1
SCHEMBL623165 0.83 CCKAR (0.44) MEN1KMT2APOLBDPP4ALDH1A1
SCHEMBL624477 0.80 MEN1 (0.45) MGLLMEN1KMT2APOLBALDH1A1
SCHEMBL624636 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHTTTP53
SCHEMBL623690 0.80 POLB (0.51) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL623703 0.80 HRH4 (0.54) DPP4LMNATP53MAPT
SCHEMBL622742 0.80 CFTR (0.41) MGLLMEN1KMT2AALDH1A1KDM4E
SCHEMBL622627 0.79 DRD2 (0.49) MEN1KMT2ADPP4ALDH1A1KDM4E
SCHEMBL623221 0.79 SCN7A (0.49) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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 MGLL 3566/4885ACACB 544/4885ACACA 552/4885

“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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