SCHEMBL10030554

SCHEMBL10030554

Cc1c(C)c(CN2CCN(C)C2)c(C)c(C)c1CN1CCN(C)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MC4R P32245 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 2/20 0.36
HIF1A Q16665 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
LMNA P02545 1/20 0.34
CHKA P35790 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
CA2 P00918 1/20 0.31
NCF1 P14598 1/20 0.31
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL10030555 0.87 GAA (0.44) GAAALDH1A1KDM4EMAPTCHKA
SCHEMBL10030552 0.86 GAA (0.56) GAAMC4RALDH1A1KDM4EMAPT
SCHEMBL13816590 0.84 GAA (0.36) GAAALDH1A1KDM4EMAPTGLA
SCHEMBL21650863 0.78 ALDH1A1 (0.43) MC4RALDH1A1KDM4ELMNACHKA
SCHEMBL19561927 0.70 KMT2A (0.47) MC4RALDH1A1KDM4ELMNAMEN1
SCHEMBL22422603 0.70 KMT2A (0.39) GAAMC4RALDH1A1KDM4EMAPT
SCHEMBL6726874 0.69 MC4R (0.34) MC4RLMNACHKA
SCHEMBL1836418 0.68 MC4R (0.78) MC4RLMNACHKAPOLB
SCHEMBL9733787 0.68 GAA (0.42) GAAALDH1A1KDM4EMAPTGLA
SCHEMBL22422475 0.67 MC4R (0.33) MC4RALDH1A1LMNACHKA

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 4 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

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 463/4885ALDH1A1 2936/4885

“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.