SCHEMBL25531010

SCHEMBL25531010

CC(C)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.52
SIGMAR1 Q99720 3/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KCNH2 Q12809 2/20 0.48
LMNA P02545 1/20 0.48
NR1I2 O75469 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CNR1 P21554 1/20 0.48
HRH1 P35367 1/20 0.48
OPRK1 P41145 1/20 0.48
PDE4D Q08499 1/20 0.48
GHSR Q92847 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL25531003 0.92 SIGMAR1 (0.50) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL25531183 0.89 TEAD1 (0.49) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL25542022 0.89 TEAD1 (0.49) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL19222138 0.85 POLB (0.56) MEN1KMT2ALMNAHRH3KDM4E
SCHEMBL25531122 0.84 SIGMAR1 (0.61) SIGMAR1HTR2AHTR2CHRH1HRH3
SCHEMBL25531006 0.84 TEAD1 (0.52) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL12449549 0.83 TEAD1 (0.58) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL798027 0.83 HRH3 (0.69) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL25531168 0.83 TEAD1 (0.54) TEAD1SIGMAR1DRD2HTR2AHTR2C
SCHEMBL1044315 0.82 KCNH2 (0.58) TEAD1SIGMAR1DRD2HTR2AHTR2C

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 TEAD1 2463/4885SIGMAR1 1380/4885DRD2 1571/4885

“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.