SCHEMBL6807801

SCHEMBL6807801

CC(C)CNC(c1ccccn1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNE1 P15382 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 2/20 0.37
HDAC6 Q9UBN7 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
MET P08581 1/20 0.35
KDR P35968 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL6803422 0.81 CTSS (0.52) KCNA5KCNE1SMN1; SMN2CTSS
SCHEMBL20217274 0.79 KCNA5 (0.41) KCNA5KDM4EKCNE1ALDH1A1HIF1A
SCHEMBL6808909 0.77 SMN1; SMN2 (0.38) KCNA5KDM4EKCNE1ALDH1A1HDAC6
SCHEMBL14873381 0.77 KCNA5 (0.42) KCNA5KDM4EKCNE1ALDH1A1HDAC6
SCHEMBL6802479 0.76 CTSS (0.43) KCNA5KDM4EKCNE1ALDH1A1HDAC6
SCHEMBL6808965 0.76 TSHR (0.47) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL20217149 0.76 KCNA5 (0.41) KCNA5KDM4EKCNE1ALDH1A1HIF1A
SCHEMBL23109247 0.76 KCNA5 (0.47) KCNA5KDM4EKCNE1ALDH1A1CYP1A2
SCHEMBL19332957 0.76 KCNA5 (0.47) KCNA5KDM4EKCNE1ALDH1A1CYP1A2
SCHEMBL6850515 0.76 KCNA5 (0.47) KCNA5KDM4EKCNE1ALDH1A1CYP1A2

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR KCNA5 759/4885KDM4E 3172/4885KCNE1 692/4885

“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.