SCHEMBL883199

SCHEMBL883199

COC(=O)[C@H]1N(C(=O)OC(C)(C)C)C[C@@H](O)C12CC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CCR2 P41597 3/20 0.34
PTPN1 P18031 1/20 0.34
PDE4B Q07343 1/20 0.34
FPR3 P25089 3/20 0.34
FPR2 P25090 3/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EPHX2 P34913 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
SCHEMBL3428406 0.85 HSD17B10 (0.37) NR1H2CHRM2CHRM1CHRM3CCR2
SCHEMBL8288617 0.84 CHRM2 (0.36) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL875863 0.84 CHRM2 (0.36) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL882907 0.84 CHRM2 (0.36) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL30484622 0.84 CHRM2 (0.36) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL3431669 0.78 CCR2 (0.33) NR1H2NR1H3CCR2PTPN1PDE4B
SCHEMBL21367038 0.76 NR1H2 (0.31) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL21358150 0.76 NR1H2 (0.31) NR1H2NR1H3CHRM2CHRM1CHRM3
SCHEMBL31367116 0.75 NR1H2 (0.31) NR1H2NR1H3PTPN1
SCHEMBL31367125 0.75 NR1H2 (0.31) NR1H2NR1H3PTPN1

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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
WO-2012040242-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-03-29 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP NR1H2 2556/4885NR1H3 2349/4885CHRM2 4758/4885

“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.