SCHEMBL20063354

SCHEMBL20063354

CC(C)N(C)C(=O)[C@@H]1CCCN1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCR1 P32246 1/20 0.37
ACE P12821 6/20 0.34
REN P00797 4/20 0.34
KDM4E B2RXH2 1/20 0.34
F2 P00734 1/20 0.34
LMNA P02545 1/20 0.34
LTA4H P09960 1/20 0.34
MAPT P10636 1/20 0.34
PEPD P12955 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34
PTGS2 P35354 1/20 0.34
HRH1 P35367 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL25663879 1.00 CYP3A4 (0.38) CYP3A4CYP2D6CCR1ACEREN
SCHEMBL20147296 0.89 MEN1 (0.31) CCR1
SCHEMBL20612268 0.81 MEN1 (0.37) CYP3A4CYP2D6CCR1ACEREN
SCHEMBL15386556 0.81 CYP3A4 (0.41) CYP3A4CYP2D6ACEDPP4
SCHEMBL3930922 0.81 CYP3A4 (0.41) CYP3A4CYP2D6ACEDPP4
SCHEMBL8260203 0.81 CYP3A4 (0.41) CYP3A4CYP2D6ACEDPP4
SCHEMBL25900450 0.81 CCR1 (0.36) CCR1ACERENKDM4EF2
SCHEMBL23464963 0.79 CCR1 (0.30) CCR1
SCHEMBL12733403 0.78 CYP3A4 (0.35) CYP3A4CYP2D6ACERENKDM4E
SCHEMBL23341626 0.78 ACE (0.44) CCR1ACERENKDM4EF2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-10457654-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2019-10-29 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 US disclosed
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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 (3 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-10457654-B2 Therapeutic compounds and methods of use thereof NPY5R, REN, F12 CYP3A4 675/4885CYP2D6 590/4885CCR1 233/4885
US-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CYP3A4 720/4885CYP2D6 592/4885CCR1 252/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL CYP3A4 101/4885CYP2D6 120/4885CCR1 361/4885

“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.