SCHEMBL25531037

SCHEMBL25531037

CCN(Cc1ccc(C(C)(C)C)cc1)CC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.41
▸ OPRM1 P35372 2/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ OPRK1 P41145 2/20 0.40
▸ RORC P51449 4/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL25531052 0.84 HRH3 (0.40) HRH3RORCHDAC8HDAC6HDAC3
SCHEMBL25541751 0.84 HRH3 (0.40) HRH3OPRD1RORCHDAC8HDAC6
SCHEMBL25531036 0.81 EP300 (0.45) HRH3HDAC8HDAC6HDAC3CYP2D6
SCHEMBL12203514 0.80 HRH3 (0.61) HRH3HDAC8HDAC6CYP2D6LMNA
SCHEMBL12126130 0.78 OPRM1 (0.56) OPRM1OPRD1OPRK1RORCMEN1
SCHEMBL29336469 0.77 OPRM1 (0.52) OPRM1OPRD1OPRK1RORC
SCHEMBL12126132 0.76 OPRM1 (0.54) OPRM1OPRD1OPRK1RORC
SCHEMBL22340454 0.75 PTGES (0.50) HRH3MEN1KMT2AHTT
SCHEMBL25531121 0.74 CYP2D6 (0.41) CYP2D6CYP2C19ADRA2AADRA2BADRA2C
SCHEMBL12891100 0.74 EP300 (0.47) HDAC8HDAC6HDAC3CYP2D6LMNA

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 2165/4885OPRM1 1089/4885OPRD1 770/4885

“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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