SCHEMBL21702403

SCHEMBL21702403

O/N=C/C1CCC(C(O)OCc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
G6PC1 P35575 1/20 0.35
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
RCE1 Q9Y256 1/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL4693015 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2
SCHEMBL1355001 0.77 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP2C9CYP2C19
SCHEMBL21679254 0.72 ALDH1A1 (0.46) SLC6A2SLC6A3CYP2C19KMT2ANPC1
SCHEMBL21679253 0.72 ALDH1A1 (0.46) SLC6A2SLC6A3CYP2C19KMT2ANPC1
SCHEMBL20602091 0.71 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2
SCHEMBL25751125 0.70 CYP2C9 (0.49) SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2
SCHEMBL2306988 0.69 KDM4E (0.36) G6PC1HTT
SCHEMBL4801137 0.67 G6PC1 (0.42) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL2475785 0.67 G6PC1 (0.42) SLC6A2SLC6A4SLC6A3G6PC1MEN1
SCHEMBL12465315 0.66 MAPT (0.42) SLC6A2SLC6A4SLC6A3SLC1A3SLC1A2

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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 US disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 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 (2 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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 SLC6A2 3827/4885SLC6A4 3803/4885SLC6A3 4011/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP SLC6A2 4011/4885SLC6A4 4246/4885SLC6A3 4079/4885

“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.