SCHEMBL6761966

SCHEMBL6761966

COc1ccc2c(c1Cl)CCN[C@]21CC[C@H](C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2A P28223 1/20 0.43
CYP1A2 P05177 1/20 0.39
PDE4A P27815 5/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
NOTUM Q6P988 1/20 0.35
APEX1 P27695 1/20 0.35
KMT2A Q03164 2/20 0.34
MAPKAPK2 P49137 3/20 0.33
S1PR1 P21453 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MAPKAPK5 Q8IW41 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
SCHEMBL6761968 1.00 HTR2C (0.43) HTR2CHTR2BHTR2ACYP1A2PDE4A
SCHEMBL6761476 0.90 HTR2C (0.42) HTR2CHTR2BHTR2ACYP1A2PDE4A
SCHEMBL6761480 0.90 HTR2C (0.42) HTR2CHTR2BHTR2ACYP1A2PDE4A
SCHEMBL6757323 0.76 PKM (0.38) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL6757328 0.76 PKM (0.38) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL6760145 0.74 KDM1A (0.41) HTR2CHTR2BHTR2AMAPKAPK2MAPKAPK5
SCHEMBL6760141 0.74 KDM1A (0.41) HTR2CHTR2BHTR2AMAPKAPK2MAPKAPK5
SCHEMBL6760866 0.69 RORC (0.40) HTR2CHTR2BHTR2A
SCHEMBL6760864 0.69 RORC (0.40) HTR2CHTR2BHTR2A
SCHEMBL6761539 0.67 HNF4A (0.36) HTR2CHTR2BHTR2APDE4APDE4B

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 HTR2C 3742/4885HTR2B 2519/4885HTR2A 3301/4885

“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.