SCHEMBL624215

SCHEMBL624215

CC(C)COc1cc(N2CCN(C(=O)Cn3nc4ccccc4n3)CC2)ncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ DCK P27707 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MC4R P32245 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ME2 P23368 1/20 0.37
▸ ME1 P48163 1/20 0.37
▸ ME3 Q16798 1/20 0.37
▸ RECQL P46063 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
SCHEMBL623288 0.86 IRAK4 (0.43) ALDH1A1DCKKDM4ERECQL
SCHEMBL624183 0.84 ACACB (0.41) ALDH1A1HSD17B10DCKSMN1; SMN2MC4R
SCHEMBL624464 0.82 KMT2A (0.54) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL623221 0.82 SCN7A (0.49) LMNAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL622297 0.81 HSD17B10 (0.45) LMNAHSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL622338 0.81 ACACB (0.43) ALDH1A1HSD17B10DCKSMN1; SMN2KDM4E
SCHEMBL624044 0.81 CKS1B (0.41) ALDH1A1LRRK2SMN1; SMN2CKS1BSKP1
SCHEMBL624361 0.80 ALDH1A1 (0.57) LMNAALDH1A1HSD17B10SMN1; SMN2MEN1
SCHEMBL622716 0.80 NPC1 (0.53) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL624304 0.80 LRRK2 (0.39) LRRK2LOXL2MEN1KMT2A

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 LMNA 2282/4885ALDH1A1 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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