SCHEMBL206205

SCHEMBL206205

COC(=O)c1cccc(N(O)C(=O)C2CCN(C(=O)O)C(Cc3ccccc3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
TACR1 P25103 11/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.38
TACR3 P29371 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 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
SCHEMBL206310 0.80 OPRM1 (0.43) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL206538 0.77 SMN1; SMN2 (0.59) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL2199235 0.77 TACR1 (0.41) TACR1ALDH1A1HSD17B10HPGD
SCHEMBL206215 0.73 SMN1; SMN2 (0.47) OPRM1OPRD1OPRK1ALDH1A1MEN1
SCHEMBL6952343 0.72 L3MBTL1 (0.49) TACR1SMN1; SMN2
SCHEMBL206381 0.72 NPSR1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL206989 0.71 TACR1 (0.46) TACR1MEN1KMT2A
SCHEMBL206203 0.71 KDM4E (0.46) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL12482320 0.70 SMN1; SMN2 (0.48) OPRK1TACR1ALDH1A1SMN1; SMN2
SCHEMBL580852 0.70 PSEN1 (0.49) TACR1ALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 OPRM1 2752/4885OPRD1 2783/4885OPRK1 1364/4885

“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.