Sugi Predict

Sugi Predict / Compounds / SCHEMBL2904061

SCHEMBL2904061

SCHEMBL2904061

C=CCOC(=O)N1CCNC(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ F2 P00734 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ TP53 P04637 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
SCHEMBL13209022 1.00 GAA (0.39) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL4337929 0.87 BIRC2 (0.40) GPR119LMNAMAPK1RAB9AF10
SCHEMBL19343639 0.83 ALDH1A1 (0.44) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL1780077 0.79 LMNA (0.43) GPR119LMNAMAPK1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL20488405 0.78 LMNA (0.42) GPR119LMNAMAPK1RAB9AERN1
SCHEMBL3248801 0.78 GPR119 (0.42) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL18497590 0.78 LMNA (0.41) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL8353411 0.77 GAA (0.45) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL18056303 0.77 GAA (0.49) GAAGPR119LMNAMAPK1RAB9A
SCHEMBL19331067 0.76 GPR119 (0.41) GAAGPR119LMNAMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049529-B1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-08-11 — — EP disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
US-20090192143-A1 Substituted diazepan orexin receptor antagonists MERCK SHARP & DOHME CORP. 2009-07-30 — — US disclosed
EP-2049529-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2009-04-22 — — EP disclosed
WO-2008008518-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 — — WO disclosed
WO-2008008518-A1 SUBSTITUTED DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 — — 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-20090192143-A1 Substituted diazepan orexin receptor antagonists HCRTR2, HCRTR1, CRHR1 GAA 1929/4885GPR119 74/4885LMNA 2975/4885

“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.