SCHEMBL3240903

SCHEMBL3240903

N#Cc1cccc(COc2ccc(C=O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.60
▸ FFAR4 Q5NUL3 1/20 0.60
▸ RAB9A P51151 1/20 0.58
▸ SPHK2 Q9NRA0 1/20 0.55
▸ SPHK1 Q9NYA1 1/20 0.55
▸ MAOB P27338 8/20 0.54
▸ MAOA P21397 5/20 0.54
▸ GRM5 P41594 2/20 0.52
▸ CYP19A1 P11511 1/20 0.52
▸ CYP11B1 P15538 1/20 0.52
▸ CYP11B2 P19099 1/20 0.52
▸ CYP4F2 P78329 1/20 0.50
▸ CYP4A11 Q02928 1/20 0.50
▸ MRGPRX4 Q96LA9 1/20 0.50
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL8545870 0.86 RAB9A (0.71) RAB9AMAOBMAOA
SCHEMBL8785132 0.81 MAOB (0.62) RAB9ASPHK2SPHK1MAOBMAOA
SCHEMBL4060195 0.81 MAOB (0.62) RAB9ASPHK2SPHK1MAOBMAOA
SCHEMBL12640896 0.81 FFAR1 (0.53) FFAR1RAB9AMAOBMAOA
SCHEMBL1248693 0.81 MAOB (0.66) FFAR1FFAR4MAOBMAOAGRM5
SCHEMBL9034724 0.80 ALDH1A1 (0.61) RAB9AMRGPRX4
SCHEMBL27983208 0.80 RAB9A (0.63) RAB9AMAOBMAOA
SCHEMBL8549374 0.80 FFAR1 (0.60) FFAR1FFAR4RAB9AMAOBMAOA
SCHEMBL2015368 0.80 FFAR1 (0.60) FFAR1FFAR4MAOBMAOAGRM5
SCHEMBL22874523 0.80 MAOB (0.62) FFAR1FFAR4RAB9AMAOBMAOA

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
CN-107151220-B Phenol compound containing benzyloxy phenyl, preparation method and application thereof 中国医学科学院药物研究所 2021-07-20 — — CN disclosed
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 — — EP disclosed
EP-1727788-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2010-07-28 — — EP disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
US-7381750-B2 Amino-phenoxymethyl-benzamide opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-06-03 — — US disclosed
US-RE40259-E1 side effects reduction; compounds active on the central nervous system; chronic and neuropathic pain, anti-epileptic, anti-Parkinson, neuroprotective, antidepressant, antispastic and hypnotic agents; 2-[4-(3-fluorobenzyloxy)benzylamino]-2-methylpropanamide NEWRON PHARMACEUTICALS, S.P.A. (IT) 2008-04-22 — — US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 — — US disclosed
US-20070287751-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY 2007-12-13 — — US disclosed
EP-1727788-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-06 — — EP disclosed
WO-2005090286-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-29 — — WO disclosed
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 — — WO disclosed
EP-1045830-B1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARM SPA (IT) 2003-04-23 — — EP disclosed
US-6306903-B1 ANALGESICS FOR ALLEVIATION OF CHRONIC AND NEUROPATHIC PAIN. NEWRON PHARMACEUTICALS S.P.A. (IT) 2001-10-23 — — US disclosed
EP-1045830-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS Newron Pharmaceuticals S.p.A. (IT) 2000-10-25 — — EP disclosed
WO-1999035125-A1 ALPHA-AMINOAMIDE DERIVATIVES USEFUL AS ANALGESIC AGENTS NEWRON PHARMACEUTICALS S.P.A. (IT) 1999-07-15 — — 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-20070287751-A1 Opioid Receptor Antagonists OPRK1, OPRM1, OPRD1 FFAR1 56/4885FFAR4 167/4885RAB9A 1574/4885

“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.

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