SCHEMBL16080282

SCHEMBL16080282

C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
HPGD P15428 1/20 0.43
PREP P48147 3/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
USP30 Q70CQ3 1/20 0.41
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL21324704 1.00 NR1H2 (0.51) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL26422959 0.88 NR1H2 (0.54) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL13110521 0.87 NR1H2 (0.49) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL18115911 0.87 NR1H2 (0.49) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL19990950 0.87 NR1H2 (0.49) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL3449225 0.87 NR1H2 (0.49) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL18115862 0.85 NR1H2 (0.50) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL18115864 0.85 NR1H2 (0.50) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL16080285 0.85 NR1H2 (0.50) NR1H2HPGDPREPUSP2SMN1; SMN2
SCHEMBL2739529 0.84 NR1H2 (0.57) NR1H2HPGDPREPUSP2SMN1; SMN2

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-9725442-B2 Heterocyclic derivative having PGD2 receptor antagonist activity SHIONOGI & CO., LTD. (JP) 2017-08-08 US disclosed
US-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO., LTD. (JP) 2014-09-18 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-20140275074-A1 HETEROCYCLIC DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY PTGDR, PTGDR2, PTGER4 NR1H2 169/4885HPGD 84/4885PREP 2042/4885

“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.