SCHEMBL204952

SCHEMBL204952

O=C(Cl)C1CCCN(C(=O)O)C1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.43
HSD11B1 P28845 1/20 0.41
MC4R P32245 2/20 0.41
MC3R P41968 2/20 0.41
MC1R Q01726 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
DPP4 P27487 2/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL23459106 0.81 SLC18A3 (0.48) SCD5MC4RMC3RMC1RGABRA1
SCHEMBL23459107 0.81 SLC18A3 (0.48) SCD5MC4RMC3RMC1RGABRA1
SCHEMBL4724722 0.80 TACR3 (0.41)
SCHEMBL16823784 0.79 HSD11B1 (0.42) SCD5HSD11B1MC4RMC3RMC1R
SCHEMBL6622994 0.78 DPP4 (0.41) SCD5HSD11B1MC4RMC3RMC1R
SCHEMBL23459127 0.76 SCD5 (0.57) SCD5HSD11B1MC4RMC3RMC1R
SCHEMBL908981 0.76 SCD5 (0.57) SCD5HSD11B1MC4RMC3RMC1R
SCHEMBL12989282 0.76 AGTR2 (0.43) SCD5HSD11B1MC4RMC3RMC1R
SCHEMBL23459409 0.75 GBA1 (0.43)
SCHEMBL6326488 0.75 GBA1 (0.43)

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 10 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
EP-1667976-B1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-7741322-B2 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-22 US 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
EP-1667976-A4 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO INC (US) 2008-02-13 EP disclosed
US-20060281743-A1 Isoquinolinone potassium channel inhibitors MERCK SHARP & DOHME CORP. 2006-12-14 US disclosed
EP-1667976-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2006-06-14 EP disclosed
WO-2005030726-A1 ISOQUINOLINONE POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2005-04-07 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 (2 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 SCD5 1272/4885HSD11B1 1871/4885MC4R 1659/4885
US-20060281743-A1 Isoquinolinone potassium channel inhibitors KCNJ2, KCNQ1, KCNQ2 SCD5 2070/4885HSD11B1 3087/4885MC4R 3994/4885

“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.