SCHEMBL25531052

SCHEMBL25531052

CCN(Cc1ccc(C(C)(C)C)cc1)CC1CC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.40
▸ SIGMAR1 Q99720 4/20 0.37
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ NR1I2 O75469 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ ADRA1A P35348 1/20 0.33

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
SCHEMBL25531037 0.84 HRH3 (0.41) HRH3HDAC8HDAC6HDAC3ADRA2A
SCHEMBL25541751 0.82 HRH3 (0.40) HRH3SIGMAR1HDAC8HDAC6HDAC3
SCHEMBL25531051 0.82 SIGMAR1 (0.43) SIGMAR1HDAC8HDAC6HDAC3KCNH2
SCHEMBL12203514 0.79 HRH3 (0.61) HRH3SIGMAR1HDAC8HDAC6KCNH2
SCHEMBL25531105 0.75 SIGMAR1 (0.40) SIGMAR1KCNH2ADRA2ACYP2D6ADRA2B
SCHEMBL25531110 0.75 SIGMAR1 (0.40) SIGMAR1KCNH2ADRA2ACYP2D6ADRA2B
SCHEMBL25530527 0.73 HRH3 (0.48) HRH3SIGMAR1HDAC8HDAC6KCNH2
SCHEMBL14587216 0.73 CNR2 (0.53) HRH3SIGMAR1KCNH2ADRA2ALMNA
SCHEMBL25531108 0.71 SIGMAR1 (0.41) SIGMAR1KCNH2ADRA2ACYP2D6SLC6A2
SCHEMBL25531104 0.71 SIGMAR1 (0.41) SIGMAR1KCNH2ADRA2ACYP2D6SLC6A2

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 HRH3 2165/4885SIGMAR1 1380/4885HDAC8 1798/4885

“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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