SCHEMBL4965877

SCHEMBL4965877

CN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
ITK Q08881 5/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PARP1 P09874 2/20 0.38
LTA4H P09960 1/20 0.38
DRD3 P35462 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL5332624 1.00 HRH3 (0.44) HRH3HRH4ITKNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4964196 0.93 HRH4 (0.39) HRH3HRH4ITKNPC1RAB9A
SCHEMBL3090217 0.80 HRH3 (0.64) HRH3HRH4ITKPARP1LTA4H
Hydrochloric Acid SCHEMBL28918864 0.78 HRH3 (0.62) HRH3HRH4ITKPARP1LTA4H
SCHEMBL4966804 0.78 HDAC1 (0.52) HRH3RAB9AOPRM1OPRD1OPRK1
SCHEMBL4964378 0.78 HDAC1 (0.52) HRH3RAB9AOPRM1OPRD1OPRK1
SCHEMBL19444786 0.78 HRH3 (0.50) HRH3HRH4ITKPARP1OPRM1
SCHEMBL4965081 0.78 OPRM1 (0.36) DRD3OPRM1OPRD1OPRK1
SCHEMBL14369641 0.77 OPRM1 (0.39) RAB9ADRD3OPRM1OPRD1OPRK1
SCHEMBL4965887 0.77 OPRM1 (0.58) RAB9AOPRM1OPRD1OPRK1

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 6 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 claimed
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 claimed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US claimed
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-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US 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 HRH3 711/4885HRH4 378/4885ITK 3771/4885

“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.