SCHEMBL2913733

SCHEMBL2913733

COC(=O)C1CCN(C(=O)OC(C)(C)C)C1c1cccc(NC(C)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GHSR Q92847 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPN1 P18031 1/20 0.39
PDE4B Q07343 1/20 0.39
GAA P10253 1/20 0.39
CCR3 P51677 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
DRD2 P14416 1/20 0.37
MCHR1 Q99705 1/20 0.37

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
SCHEMBL2913732 1.00 NPC1 (0.41) NPC1RAB9AGHSRNR1H2NR1H3
SCHEMBL5508963 0.86 DRD2 (0.42) GAANPSR1ALDH1A1DRD2MCHR1
SCHEMBL22805991 0.84 SLC6A2 (0.47) NR1H2NR1H3PDE4B
SCHEMBL2993869 0.81 NR3C2 (0.48) NPC1RAB9AGHSRNR1H2NR1H3
SCHEMBL2993871 0.81 NR3C2 (0.48) NPC1RAB9AGHSRNR1H2NR1H3
SCHEMBL8262944 0.81 DRD2 (0.42) RAB9AGAAMEN1KMT2ANPSR1
SCHEMBL2944251 0.80 NPC1 (0.50) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL7654945 0.77 RIPK1 (0.48) NPC1PDE4BMEN1KMT2ANPSR1
SCHEMBL2878255 0.76 NAMPT (0.57) NPC1RAB9APTPN1GAADRD2
SCHEMBL9962304 0.74 USP30 (0.54) NPC1RAB9APDE4BGAAUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856096-B1 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-09-01 EP disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 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-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 NPC1 3601/4885RAB9A 2651/4885GHSR 1844/4885

“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.