SCHEMBL25531051

SCHEMBL25531051

CC1CC(CN(C)Cc2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ ADRA2A P08913 2/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ EP300 Q09472 1/20 0.39
▸ CXCR3 P49682 2/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PYCR1 P32322 1/20 0.36
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 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
SCHEMBL12891100 0.85 EP300 (0.47) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25531036 0.83 EP300 (0.45) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25531052 0.82 HRH3 (0.40) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL7768827 0.79 ALDH1A1 (0.46) SIGMAR1LMNACXCR3PYCR1
SCHEMBL25531104 0.77 SIGMAR1 (0.41) SIGMAR1KCNH2ADRA2ACYP2D6SLC6A2
SCHEMBL25531108 0.77 SIGMAR1 (0.41) SIGMAR1KCNH2ADRA2ACYP2D6SLC6A2
SCHEMBL12891088 0.72 KCNH2 (0.53) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25531039 0.71 HRH3 (0.44) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25530530 0.71 LMNA (0.51) SIGMAR1KCNH2ADRA2ANR1I2LMNA
SCHEMBL25531045 0.70 HRH3 (0.50) SIGMAR1KCNH2ADRA2ANR1I2LMNA

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 SIGMAR1 1380/4885KCNH2 1953/4885ADRA2A 4644/4885

“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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