SCHEMBL4637455

SCHEMBL4637455

COC(=O)[C@]1(Cc2ccc(C#N)cc2)C[C@H](NC(C)=O)CN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADAM17 P78536 2/20 0.35
PGR P06401 2/20 0.34
AR P10275 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP2D6 P10635 2/20 0.33
USP2 O75604 1/20 0.33
DRD2 P14416 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4840142 0.77 CYP3A4 (0.44) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4798320 0.77 CYP3A4 (0.44) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL4799890 0.69 ARG1 (0.42) GAACTSC
SCHEMBL4637539 0.68 CYP3A4 (0.34) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL4638269 0.68 CNR1 (0.38) CYP3A4CYP2C19ALDH1A1MAPK1HSD17B10
SCHEMBL27999407 0.65 SLC6A2 (0.46) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1818900 0.65 SLC6A2 (0.46) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL14254721 0.65 KMT2A (0.39) TSHRCYP3A4CYP2C19ALDH1A1HSD17B10
SCHEMBL8830739 0.64 GPR119 (0.42) TSHRCYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL9126135 0.64 CYP3A4 (0.41) TSHRCYP3A4CYP2C19ALDH1A1MAPK1

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 TSHR 3150/4885CYP3A4 1012/4885CYP2C19 1229/4885

“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.