SCHEMBL25530581

SCHEMBL25530581

CCN(Cc1ccc(C(C)(C)C)cc1F)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
RIPK1 Q13546 2/20 0.38
EPHX2 P34913 3/20 0.36
NR1H4 Q96RI1 2/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2D6 P10635 3/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
IDO1 P14902 1/20 0.34
ALOX5AP P20292 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTR1D P28221 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 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
SCHEMBL21654088 0.83 CYP1A2 (0.46) CYP1A2CYP2C19RIPK1EPHX2NR1H4
SCHEMBL25530566 0.81 CYP1A2 (0.41) CYP1A2CYP2C19SLC6A4SLC6A2CYP2D6
SCHEMBL25530554 0.81 SLC6A4 (0.39) CYP1A2CYP2C19RIPK1EPHX2NR1H4
SCHEMBL25530564 0.81 CYP2C19 (0.44) CYP1A2CYP2C19EPHX2NR1H4CYP2D6
SCHEMBL25530592 0.80 CYP2C19 (0.50) CYP1A2CYP2C19RIPK1EPHX2NR1H4
SCHEMBL20665206 0.80 CYP2C19 (0.68) CYP1A2CYP2C19RIPK1EPHX2NR1H4
SCHEMBL25530577 0.78 CYP1A2 (0.41) CYP1A2CYP2C19NR1H4CYP2D6HSP90AA1
SCHEMBL25530571 0.78 CYP1A2 (0.39) CYP1A2CYP2C19EPHX2NR1H4SLC6A4
SCHEMBL10162939 0.77 EPHX2 (0.45) CYP1A2CYP2C19RIPK1EPHX2NR1H4
SCHEMBL25587218 0.74 CYP1A2 (0.42) CYP1A2CYP2C19EPHX2NR1H4CYP2D6

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 2 patents. 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
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 CYP1A2 3539/4885CYP2C19 2355/4885RIPK1 2036/4885

“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.