SCHEMBL25530593

SCHEMBL25530593

Cc1cc(C(C)(C)C)ccc1CN(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.53
CYP1A2 P05177 3/20 0.53
HTR1D P28221 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1B P28222 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 2/20 0.42
CYP2D6 P10635 5/20 0.38
EPHX2 P34913 1/20 0.37
PYCR1 P32322 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
TSHR P16473 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL25530592 0.82 CYP2C19 (0.50) CYP2C19CYP1A2HTR1DADRA2AADRA2B
SCHEMBL25530589 0.82 CYP2C19 (0.50) CYP2C19CYP1A2HTR1DADRA2AADRA2B
SCHEMBL25530573 0.81 CYP2C19 (0.49) CYP2C19CYP1A2KDM4ECYP2D6PYCR1
SCHEMBL25562928 0.79 CYP2C19 (0.50) CYP2C19CYP1A2HTR1DADRA2AADRA2B
SCHEMBL25536686 0.77 IDO1 (0.35) CYP2C19CYP1A2PYCR1
SCHEMBL14438273 0.75 MAPT (0.43) KDM4ETSHRALDH1A1ACHESLC6A2
SCHEMBL24123873 0.74 HTR1D (0.56) CYP2C19CYP1A2HTR1DADRA2AADRA2B
SCHEMBL22763805 0.74 ALDH1A1 (0.39) CYP2C19CYP1A2KDM4ECYP2D6TSHR
SCHEMBL12724796 0.73 CYP2C19 (0.67) CYP2C19CYP1A2HTR1DADRA2AADRA2B
SCHEMBL25530551 0.73 ADRA2A (0.42) CYP2C19CYP1A2HTR1DADRA2AADRA2B

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 3539/4885HTR1D 4755/4885

“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.