SCHEMBL1778110

SCHEMBL1778110

O=C(O)CC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PREP P48147 3/20 0.51
FKBP1A P62942 2/20 0.51
TMEM97 Q5BJF2 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
KMT2A Q03164 1/20 0.49
ACE2 Q9BYF1 2/20 0.49
CYP2C19 P33261 1/20 0.49
GFER P55789 1/20 0.48
CTRB1 P17538 1/20 0.48

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
SCHEMBL1122261 0.96 PREP (0.55) SMN1; SMN2NPC1RAB9APREPKMT2A
SCHEMBL1122258 0.96 PREP (0.55) SMN1; SMN2NPC1RAB9APREPKMT2A
SCHEMBL80752 0.88 SPHK2 (0.54) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL3605585 0.88 SPHK2 (0.54) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL1190565 0.88 SPHK2 (0.54) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL13375648 0.87 PREP (0.49) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL13961188 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL13198885 0.87 NPC1 (0.60) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL5305188 0.87 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9APREPFKBP1A
SCHEMBL14646609 0.87 NPC1 (0.60) SMN1; SMN2NPC1RAB9APREPFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920038-B2 Methyl oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-03-20 US disclosed
US-9920038-B2 Methyl oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-03-20 US disclosed
US-20170260177-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
US-20170260177-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-09-14 US disclosed
WO-2016089721-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2016-06-09 WO disclosed
US-7943645-B2 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2011-05-17 US disclosed
US-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. 2009-03-26 US disclosed
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed
EP-1406897-B1 COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2007-03-14 EP disclosed
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist SMITHKLINE BEECHAM LIMITED (GB) 2004-10-28 US disclosed
EP-1406897-A2 COMPOUNDS SmithKline Beecham plc (GB) 2004-04-14 EP disclosed
WO-2003002559-A2 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2003-01-09 WO disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
EP-0671390-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-13 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP 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 (3 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-20090082390-A1 PIPERIDINE COMPOUNDS FOR USE AS OREXIN RECEPTOR ANTAGONIST HCRTR2, HCRTR1, OXTR SMN1; SMN2 3381/4885NPC1 1015/4885RAB9A 1592/4885
US-20170260177-A1 METHYL OXAZOLE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR SMN1; SMN2 1886/4885NPC1 1393/4885RAB9A 3473/4885
US-20040215014-A1 Piperidine compounds for use as orexin receptor antagonist HCRTR2, HCRTR1, OXTR SMN1; SMN2 3363/4885NPC1 706/4885RAB9A 1985/4885

“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.