SCHEMBL25532732

SCHEMBL25532732

CCN(CCc1ccc(C(C)(C)C)cc1)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.49
▸ ESRRG P62508 4/20 0.42
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SIGMAR1 Q99720 3/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ GRIA4 P48058 1/20 0.36
▸ SLC13A5 Q86YT5 2/20 0.36
▸ DAO P14920 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
SCHEMBL12891086 0.89 KCNH2 (0.55) KCNH2ESRRGLMNASIGMAR1SLC6A4
SCHEMBL18138032 0.82 OPRM1 (0.56) KCNH2LMNASLC6A4SLC6A3CHRM2
SCHEMBL25530527 0.82 HRH3 (0.48) KCNH2LMNATP53TSHRSIGMAR1
SCHEMBL25532733 0.79 KCNH2 (0.56) KCNH2ESRRGLMNASIGMAR1SLC6A4
SCHEMBL12891007 0.77 KCNH2 (0.58) KCNH2ESRRGLMNASIGMAR1SLC6A4
SCHEMBL25530539 0.75 KCNH2 (0.51) KCNH2ESRRGLMNATP53TSHR
SCHEMBL11133065 0.74 KCNH2 (0.52) KCNH2TSHRSIGMAR1SLC6A4SLC6A3
SCHEMBL12203514 0.74 HRH3 (0.61) KCNH2LMNATSHRSIGMAR1SLC6A4
SCHEMBL797701 0.74 KCNH2 (0.75) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL7456580 0.72 KCNH2 (0.59) KCNH2ESRRGLMNATP53TSHR

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-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 KCNH2 1953/4885ESRRG 3236/4885LMNA 3813/4885

“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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