SCHEMBL12099593

SCHEMBL12099593

O=Cc1cc2ccccc2nc1N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR6 P46095 2/20 0.42
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL12100063 0.83 FFAR1 (0.39) ALDH1A1MAPTKDM4ENPSR1TDP1
SCHEMBL12099455 0.82 KCNH2 (0.45) GPR6KCNH2HRH3MAPK14CHRM4
SCHEMBL12099601 0.81 MAPK14 (0.48) KDM4EGPR6KCNH2HRH3KMT2A
SCHEMBL12099674 0.80 MAPT (0.44) ALDH1A1MAPTKDM4ENPSR1TDP1
SCHEMBL12099998 0.80 HRH3 (0.43) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL12100049 0.78 MAPK14 (0.39) LMNAGPR6KCNH2HRH3KMT2A
SCHEMBL12099739 0.78 EPHX2 (0.45) KCNH2EPHX2
SCHEMBL12100285 0.77 MAPK14 (0.44) MAPTKDM4ELMNAGPR6KCNH2
SCHEMBL12099405 0.77 MAPK14 (0.48) KDM4EGPR6KCNH2HRH3KMT2A
SCHEMBL12100034 0.77 MAPK14 (0.48) GPR6KCNH2HRH3MAPK14CHRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ALDH1A1 787/4885MAPT 4090/4885KDM4E 1141/4885

“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.