SCHEMBL580415

SCHEMBL580415

CC(NCc1ccccc1)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CASR P41180 2/20 0.53
ADRA1A P35348 3/20 0.50
OPRK1 P41145 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
LMNA P02545 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
SLC6A2 P23975 2/20 0.50
OPRM1 P35372 2/20 0.50
DRD3 P35462 2/20 0.50
HTR2B P41595 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
ADRB2 P07550 1/20 0.50

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
SCHEMBL7176489 0.93 SMN1; SMN2 (0.70) POLBSMN1; SMN2CASRADRA1AOPRK1
SCHEMBL9089267 0.93 SMN1; SMN2 (0.70) POLBSMN1; SMN2CASRADRA1AOPRK1
SCHEMBL4424042 0.93 SMN1; SMN2 (0.70) POLBSMN1; SMN2CASRADRA1AOPRK1
SCHEMBL11881252 0.91 SMN1; SMN2 (0.70) POLBSMN1; SMN2CASRADRA1ASIGMAR1
SCHEMBL774613 0.87 SMN1; SMN2 (0.76) POLBSMN1; SMN2CASRADRA1ASIGMAR1
SCHEMBL79765 0.87 SMN1; SMN2 (0.76) POLBSMN1; SMN2CASRADRA1ASIGMAR1
SCHEMBL29560 0.87 SMN1; SMN2 (0.76) POLBSMN1; SMN2CASRADRA1ASIGMAR1
SCHEMBL7182235 0.86 SMN1; SMN2 (0.51) POLBSMN1; SMN2ADRA1AOPRK1SIGMAR1
Hydrochloric Acid SCHEMBL9635019 0.85 SMN1; SMN2 (0.79) POLBSMN1; SMN2CASRADRA1ASIGMAR1
SCHEMBL27939948 0.85 SMN1; SMN2 (0.73) POLBSMN1; SMN2CASRADRA1ASIGMAR1

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
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 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 (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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 POLB 2349/4885SMN1; SMN2 2464/4885CASR 398/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 POLB 2349/4885SMN1; SMN2 2464/4885CASR 398/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 POLB 2349/4885SMN1; SMN2 2464/4885CASR 398/4885

“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.