SCHEMBL4637333

SCHEMBL4637333

C=CCOC(=O)N1C[C@@H](N)C[C@@]1(Cc1ccc(C#N)cc1)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM1A O60341 6/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
USP2 O75604 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRM5 P41594 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
PGR P06401 1/20 0.32
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4637539 0.86 CYP3A4 (0.34) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4638092 0.72 KDM1A (0.40) KDM1ADPP4DPP8
SCHEMBL4804860 0.65 CYP3A4 (0.45) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4638269 0.64 CNR1 (0.38) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL25555099 0.62 SMN1; SMN2 (0.41) CYP3A4CYP2C19
SCHEMBL31197604 0.62 SMN1; SMN2 (0.41) CYP3A4CYP2C19
SCHEMBL2674495 0.61 MMP12 (0.46) CYP3A4
SCHEMBL2289886 0.61 MAOB (0.38) CYP3A4DPP4DPP8GAA
SCHEMBL16166446 0.60 GRK2 (0.43) CYP3A4ALDH1A1MAPK1GAAMEN1
SCHEMBL6230747 0.60 SNCA (0.54) CYP3A4ALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds BAUMANN KARL 2008-10-23 US disclosed
EP-1937685-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS Novartis AG (CH) 2008-07-02 EP disclosed
WO-2007039286-A1 TETRAHYDRO-PYRROLIZINONE COMPOUNDS AS LFA-I MEDIATORS NOVARTIS AG (CH) 2007-04-12 WO 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-20080262070-A1 Pharmaceutically Active Tetrahydro-Pyrrolizinone Compounds VCAM1, ICAM1, EPCAM CYP3A4 1012/4885CYP2C19 1229/4885ALDH1A1 164/4885

“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.