SCHEMBL21987385

SCHEMBL21987385

COC(=O)CC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
GAA P10253 3/20 0.41
HTT P42858 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL21987727 0.94 SMN1; SMN2 (0.43) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL21987790 0.90 SMN1; SMN2 (0.41) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL19995380 0.90 SMN1; SMN2 (0.41) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL18707162 0.86 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL1576143 0.85 GAA (0.49) SMN1; SMN2GAAALDH1A1NPC1RAB9A
SCHEMBL21995317 0.83 HPGD (0.43) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL20954393 0.81 MGAM (0.37) SMN1; SMN2GAAHTTALDH1A1POLB
SCHEMBL221809 0.80 GAA (0.46) SMN1; SMN2GAA
SCHEMBL21987333 0.80 ALDH1A1 (0.43) SMN1; SMN2GAAHTTALDH1A1LMNA
SCHEMBL9938875 0.79 HPGD (0.56) SMN1; SMN2ALDH1A1NPC1RAB9A

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-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2020-06-04 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-20200172532-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL SMN1; SMN2 4696/4885GAA 1238/4885HTT 3871/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 SMN1; SMN2 4624/4885GAA 2071/4885HTT 2877/4885

“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.