SCHEMBL622520

SCHEMBL622520

CC(C)COc1cc(N2CCN(C(=O)COc3cncc(Cl)c3)CC2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.41
GRM5 P41594 2/20 0.40
POLB P06746 1/20 0.40
LRRK2 Q5S007 2/20 0.40
MAPT P10636 1/20 0.40
GHSR Q92847 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MC4R P32245 2/20 0.38
KDR P35968 1/20 0.38
ETV6 P41212 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
SCHEMBL624464 0.83 KMT2A (0.54) ENPP2POLBMAPTSMN1; SMN2KDM4E
SCHEMBL624197 0.82 GHSR (0.42) POLBLRRK2MAPTGHSRSMN1; SMN2
SCHEMBL623125 0.82 SMN1; SMN2 (0.43) POLBLRRK2MAPTSMN1; SMN2ALDH1A1
SCHEMBL622519 0.82 ALDH1A1 (0.51) ENPP2LRRK2MAPTSMN1; SMN2ALDH1A1
SCHEMBL624044 0.81 CKS1B (0.41) GRM5POLBLRRK2SMN1; SMN2ALDH1A1
SCHEMBL624243 0.80 GAA (0.57) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL624736 0.79 ENPP2 (0.53) ENPP2MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL12473612 0.79 LRRK2 (0.40) GRM5LRRK2KDM4E
SCHEMBL624194 0.79 IDE (0.44) ENPP2LRRK2MAPTGHSRSMN1; SMN2
Hydrochloric Acid SCHEMBL624304 0.78 LRRK2 (0.39) LRRK2KDR

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 ENPP2 291/4885GRM5 182/4885POLB 3044/4885

“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.