SCHEMBL6760866

SCHEMBL6760866

O=C(O)[C@H]1CC[C@]2(CC1)NCCc1ccccc12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.40
HTR2A P28223 6/20 0.39
HRH1 P35367 6/20 0.39
HTR2B P41595 6/20 0.39
HTR2C P28335 5/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 3/20 0.39
HDAC9 Q9UKV0 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6760864 1.00 RORC (0.40) RORCHTR2AHRH1HTR2BHTR2C
SCHEMBL22541598 0.79 HTR2A (0.47) HTR2AHTR2CTSHRTDP1
SCHEMBL29674233 0.79 HTR2A (0.47) HTR2AHTR2CTSHRTDP1
SCHEMBL6760141 0.78 KDM1A (0.41) HTR2AHTR2BHTR2C
SCHEMBL6760145 0.78 KDM1A (0.41) HTR2AHTR2BHTR2C
SCHEMBL30666720 0.77 SIGMAR1 (0.50) HTR2AHRH1HTR2BHTR2CTSHR
SCHEMBL6757328 0.75 PKM (0.38) TSHRMEN1TDP1
SCHEMBL6757323 0.75 PKM (0.38) TSHRMEN1TDP1
SCHEMBL14522963 0.75 HTR2A (0.51) HTR2AHTR2CTSHRTDP1
SCHEMBL23699186 0.73 GAA (0.41) HRH1MEN1

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 RORC 2963/4885HTR2A 3301/4885HRH1 3715/4885

“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.