SCHEMBL4967466

SCHEMBL4967466

CC(C)CCN(Cc1ccc(O)c(Br)c1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
F7 P08709 2/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
LPAR1 Q92633 2/20 0.35
LPAR5 Q9H1C0 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
BACE1 P56817 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CALCRL Q16602 1/20 0.33
PTGES O14684 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
SCHEMBL4071560 0.86 SSTR4 (0.41) SSTR4F2F10F7HDAC1
SCHEMBL4081699 0.85 SSTR4 (0.45) SSTR4F2F10F7HDAC1
SCHEMBL28466070 0.79 HDAC1 (0.51) HDAC1HDAC3HDAC2NCOR2LPAR1
SCHEMBL14369645 0.75 SSTR4 (0.36) SSTR4LPAR1LPAR5AAK1
SCHEMBL14529895 0.75 SSTR4 (0.38) SSTR4HDAC1HDAC3HDAC2NCOR2
SCHEMBL4257993 0.74 GRM2 (0.36) SSTR4F2F10F7HDAC1
SCHEMBL4488726 0.74 F2 (0.41) SSTR4F2F10F7HDAC1
SCHEMBL15127576 0.74 GRM2 (0.41) SSTR4HDAC1HDAC3HDAC2HDAC6
SCHEMBL10305081 0.74 GRM2 (0.41) SSTR4HDAC1HDAC3HDAC2HDAC6
SCHEMBL4075808 0.74 SSTR4 (0.42) SSTR4LPAR1LPAR5AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US disclosed
EP-1730140-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-13 EP disclosed
WO-2005090337-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 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-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 SSTR4 553/4885F2 2502/4885F10 1219/4885

“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.