SCHEMBL6760145

SCHEMBL6760145

COc1ccc2c(c1)CCN[C@]21CC[C@@H](C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
POLA1 P09884 2/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPKAPK2 P49137 1/20 0.38
MAPKAPK5 Q8IW41 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HSD11B1 P28845 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL6760141 1.00 KDM1A (0.41) KDM1APOLA1MTNR1AMTNR1BGAA
SCHEMBL6757323 0.83 PKM (0.38)
SCHEMBL6757328 0.83 PKM (0.38)
SCHEMBL1222499 0.79 KDM1A (0.45) KDM1AHTR2AHTR2CHTR2BAR
SCHEMBL6760866 0.78 RORC (0.40) HTR2AHTR2CHTR2B
SCHEMBL12311978 0.77 KDM1A (0.43) KDM1AHTR2AHTR2CHTR2BAR
SCHEMBL6761606 0.76 CYP2C19 (0.39) KDM1ACYP2C19AR
SCHEMBL6761538 0.75 HNF4A (0.36) GAAHTR2AHTR2CHTR2BACHE
SCHEMBL6761968 0.74 HTR2C (0.43) MAPKAPK2MAPKAPK5HTR2AHTR2CHTR2B
SCHEMBL28465895 0.74 KDM1A (0.48) KDM1ACYP2C19HTR2AHTR2CHTR2B

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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity TANABE SEIYAKU CO., LTD. (JP) 2004-06-03 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-20040106635-A1 having small-conductance potassium channel (SK) blocking activity KCNN1, KCNN2, KCNN3 KDM1A 1175/4885POLA1 2520/4885MTNR1A 1536/4885

“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.