SCHEMBL25530592

SCHEMBL25530592

CN(Cc1ccc(C(C)(C)C)cc1F)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 2/20 0.50
RIPK1 Q13546 3/20 0.39
EPHX2 P34913 3/20 0.38
NR1H4 Q96RI1 2/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2D6 P10635 3/20 0.36
IDO1 P14902 1/20 0.36
PYCR1 P32322 1/20 0.36
ALOX5AP P20292 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTR1D P28221 2/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1B P28222 1/20 0.34
ADRA1A P35348 1/20 0.34

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
SCHEMBL20665206 0.86 CYP2C19 (0.68) CYP2C19CYP1A2RIPK1EPHX2NR1H4
SCHEMBL25530593 0.82 CYP2C19 (0.53) CYP2C19CYP1A2EPHX2NR1H4SLC6A4
SCHEMBL25530581 0.80 CYP1A2 (0.44) CYP2C19CYP1A2RIPK1EPHX2NR1H4
SCHEMBL25530589 0.79 CYP2C19 (0.50) CYP2C19CYP1A2EPHX2NR1H4SLC6A4
SCHEMBL21654088 0.79 CYP1A2 (0.46) CYP2C19CYP1A2RIPK1EPHX2NR1H4
SCHEMBL25530573 0.78 CYP2C19 (0.49) CYP2C19CYP1A2NR1H4SLC6A4CYP2D6
SCHEMBL25536693 0.77 RIPK1 (0.38) CYP2C19CYP1A2RIPK1PYCR1KDM4E
SCHEMBL10162939 0.76 EPHX2 (0.45) CYP2C19CYP1A2RIPK1EPHX2NR1H4
SCHEMBL13619369 0.74 IDO1 (0.43) CYP2C19CYP1A2EPHX2NR1H4CYP2D6
SCHEMBL6644304 0.74 PON1 (0.45) CYP2C19CYP1A2EPHX2NR1H4CYP2D6

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 CYP2C19 2355/4885CYP1A2 3539/4885RIPK1 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.