SCHEMBL624044

SCHEMBL624044

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
LRRK2 Q5S007 4/20 0.40
MAP2K7 O14733 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
P2RY12 Q9H244 1/20 0.38
PANK3 Q9H999 2/20 0.37
POLB P06746 1/20 0.37
ELOVL1 Q9BW60 3/20 0.36
ACACB O00763 1/20 0.36
GRM5 P41594 2/20 0.36

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
Hydrochloric Acid SCHEMBL624304 0.87 LRRK2 (0.39) LRRK2CYP2C19P2RY12ELOVL1ACACB
SCHEMBL12473598 0.84 LRRK2 (0.38) LRRK2CYP2C19ALDH1A1P2RY12ELOVL1
SCHEMBL12473612 0.84 LRRK2 (0.40) LRRK2CYP2C19P2RY12GRM5
SCHEMBL624464 0.82 KMT2A (0.54) ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL623234 0.82 ELOVL1 (0.51) SMN1; SMN2PANK3POLBELOVL1
SCHEMBL624296 0.81 GPR119 (0.50) CKS1BSKP1SKP2ALDH1A1HTT
SCHEMBL622716 0.81 NPC1 (0.53) ALDH1A1SMN1; SMN2POLB
SCHEMBL622519 0.81 ALDH1A1 (0.51) LRRK2ALDH1A1HTTSMN1; SMN2ELOVL1
SCHEMBL624361 0.81 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2
SCHEMBL624215 0.81 LMNA (0.42) CKS1BSKP1SKP2LRRK2ALDH1A1

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 3 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 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 CKS1B 4211/4885SKP1 2006/4885SKP2 1951/4885

“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.