SCHEMBL622712

SCHEMBL622712

CC(C)COc1cc(N2CCN(C(=O)C3Cc4ccccc4O3)CC2)ncn1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PDE2A O00408 1/20 0.41
▸ CHRM4 P08173 11/20 0.40
▸ LRRK2 Q5S007 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ CHRM2 P08172 3/20 0.38
▸ CHRM5 P08912 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL623745 0.83 HPGD (0.53) HPGDTSHRPDE2ACHRM4LRRK2
SCHEMBL623165 0.76 CCKAR (0.44) TSHRCHRM4ALDH1A1POLBKMT2A
SCHEMBL10202533 0.75 CPT2 (0.38) CHRM4LRRK2CHRM2CHRM5CHRM1
SCHEMBL623189 0.75 PTK2 (0.51) TSHRPDE2AGAAPOLBKMT2A
SCHEMBL622833 0.75 LOXL2 (0.43) HPGDCHRM4ALDH1A1KMT2ASMN1; SMN2
SCHEMBL624464 0.74 KMT2A (0.54) GAAMAPK1ALDH1A1POLBKMT2A
SCHEMBL624236 0.74 RET (0.46) ALDH1A1
SCHEMBL15025401 0.74 RET (0.46) ALDH1A1
SCHEMBL624235 0.74 RET (0.46) ALDH1A1
SCHEMBL622878 0.74 MEN1 (0.55) GAAALDH1A1POLBKMT2ASMN1; 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 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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