SCHEMBL10030552

SCHEMBL10030552

Cc1c(C)c(CN2CCN(C)CC2)c(C)c(C)c1CN1CCN(C)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MC4R P32245 1/20 0.48
LMNA P02545 1/20 0.45
ERAP1 Q9NZ08 1/20 0.44
CHKA P35790 3/20 0.42
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
CA2 P00918 1/20 0.40
NCF1 P14598 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 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
SCHEMBL10030554 0.86 GAA (0.47) GAAMC4RLMNAERAP1CHKA
SCHEMBL21955414 0.78 MC4R (0.47) GAAMC4RLMNAERAP1CHKA
SCHEMBL11891933 0.76 HRH3 (0.52) GAAMC4RLMNAERAP1CHKA
SCHEMBL18713208 0.76 MC4R (0.55) MC4RLMNACHKAKDM4ETDP1
SCHEMBL17339934 0.73 NMT1 (0.41) MC4RLMNAALDH1A1KMT2A
SCHEMBL10030555 0.73 GAA (0.44) GAACHKAKDM4ETDP1ALDH1A1
SCHEMBL13816590 0.72 GAA (0.36) GAALMNAERAP1KDM4EALDH1A1
SCHEMBL8260394 0.72 BRD4 (0.50) MC4RLMNAERAP1KDM4ETDP1
SCHEMBL26032241 0.72 GAA (0.44) GAAMC4RLMNACHKAKDM4E
SCHEMBL14859461 0.71 GAA (0.57) GAALMNATDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101084-B2 Perchlorate ion trapping agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-01-24 US disclosed
US-8101084-B2 Perchlorate ion trapping agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2012-01-24 US disclosed
US-20100200508-A1 Perchlorate Ion Trapping Agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2010-08-12 US disclosed
US-20100200508-A1 Perchlorate Ion Trapping Agent NATIONAL UNIVERSITY CORPORATION SHIZUOKA UNIVERSITY (JP) 2010-08-12 US disclosed
EP-2067774-A1 PERCHLORIC ACID ION TRAPPING AGENT National University Corporation Shizuoka University (JP) 2009-06-10 EP 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-20100200508-A1 Perchlorate Ion Trapping Agent SLC10A6, SLC9A1, SLC9A5 GAA 4180/4885MC4R 463/4885LMNA 4476/4885

“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.