SCHEMBL7111151

SCHEMBL7111151

COc1ccc2c(c1)CCN=C2C1CCN(S(=O)(=O)c2nccn2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHRM4 P08173 1/20 0.39
CHRM5 P08912 5/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP1 O94782 1/20 0.36
CHRM1 P11229 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
MAPT P10636 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
SCHEMBL6713500 0.81 MMP1 (0.49) CA1CA2CA7CA9CA14
SCHEMBL6713623 0.73 ESR1 (0.53) CA1CA2CA7CA9CA14
SCHEMBL6716333 0.73 ALDH1A1 (0.47) CA1CA2CA7CA9CA14
SCHEMBL11238066 0.71 ALDH1A1 (0.45) CA1CA2CA7CA9CA14
SCHEMBL6716568 0.71 HTR2C (0.47) CA1CA2CA7CA9CA14
SCHEMBL17144585 0.66 CA1 (0.66) CA1CA2CA7CA9CA14
SCHEMBL7417313 0.64 PLG (0.43) CA1CA2CA7CA9CA14
SCHEMBL2790554 0.63 PLG (0.47) KDM4EDRD2MAPTALDH1A1LMNA
SCHEMBL875288 0.62 ALDH1A1 (0.60) CA1CA2CA7CA9CA14
SCHEMBL8099984 0.61 ALDH1A1 (0.56) CA1CA2CA7CA9CA14

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-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists CAMERON KIMBERLY O (US) 2003-11-27 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-20030220494-A1 Tetrahydroisoquinoline compounds as estrogen agonists/antagonists GPER1, ESR1, ESR2 SUV39H2 563/4885CA1 4479/4885CA2 4638/4885

“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.