SCHEMBL12640405

SCHEMBL12640405

CCC(C)c1cnc(N2CCCCC2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 8/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
GAA P10253 1/20 0.35
JAK3 P52333 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
TSHR P16473 1/20 0.34
XBP1 P17861 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL179313 0.86 CHRM4 (0.40) CHRM4KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9925926 0.79 CHRM4 (0.41) CHRM4KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL18672392 0.78 MAPT (0.34) KDM4EMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL24092755 0.77 ALDH1A1 (0.45) CHRM4ALDH1A1MEN1HPGDKMT2A
SCHEMBL12638822 0.77 ALDH1A1 (0.36) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL231930 0.76 KDM4E (0.46) CHRM4KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL12186830 0.74 CHRM4 (0.42) CHRM4KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL31507954 0.72 SMPD3 (0.48) ALDH1A1MEN1HPGDKMT2AHTT
SCHEMBL31508012 0.72 SMPD3 (0.48) ALDH1A1MEN1HPGDKMT2AHTT
SCHEMBL9924600 0.71 CHRM4 (0.41) CHRM4KDM4EMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF INTELLIKINE LLC 2011-06-30 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-20110160232-A1 CERTAIN CHEMICAL ENTITIES AND THERAPEUTIC USES THEREOF PIK3CA, PIK3C3, PRKACA CHRM4 4122/4885KDM4E 3724/4885MAPT 1095/4885

“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.