SCHEMBL6337118

SCHEMBL6337118

CN(CCCc1ccc(Cl)cc1)c1nc(Cl)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.46
▸ ESR1 P03372 11/20 0.46
▸ ESR2 Q92731 11/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ MCHR1 Q99705 1/20 0.46
▸ KCNH2 Q12809 3/20 0.42
▸ FDPS P14324 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.41

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
SCHEMBL6336674 0.88 TAAR1 (0.46) AOC3ESR1ESR2
SCHEMBL6337298 0.87 ESR2 (0.53) ESR1ESR2
SCHEMBL6343463 0.80 ESR2 (0.69) ESR1ESR2
SCHEMBL6337297 0.79 ESR2 (0.52) ESR1ESR2
SCHEMBL6340932 0.79 ESR2 (0.60) ESR1ESR2
SCHEMBL8506218 0.78 ESR1 (0.41) ESR1ESR2
SCHEMBL8507343 0.78 AOC3 (0.47) AOC3ESR1ESR2CHRM1KCNH2
SCHEMBL6337734 0.77 ESR2 (0.50) AOC3ESR1ESR2
SCHEMBL9367154 0.77 ALDH1A1 (0.36) —
SCHEMBL6339546 0.75 ESR2 (0.56) ESR1ESR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6943162-B2 Osteoporosis; cardiovascular disorders; anticancer agents;incontinence SMITHKLINE BEECHAM CORPORATION (US) 2005-09-13 — — US disclosed
US-20040072829-A1 Piperazinyltriazines as estrogen receptor modulators SMITHKLINE BEECHAM CORPORATION 2004-04-15 — — 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-20040072829-A1 Piperazinyltriazines as estrogen receptor modulators GPER1, ESR2, ESR1 AOC3 2580/4885ESR1 3/4885ESR2 2/4885

“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.

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