SCHEMBL6820101

SCHEMBL6820101

COc1ccc2c(c1)C1(CCN(Cc3ccccc3)CC1)OC2=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.68
▸ AVPR1A P37288 1/20 0.56
▸ SSTR5 P35346 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.52
▸ ACHE P22303 2/20 0.51
▸ BACE1 P56817 1/20 0.51

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
Hydrochloric Acid SCHEMBL20955046 0.90 SIGMAR1 (0.67) SIGMAR1AVPR1ASSTR5HRH3
SCHEMBL11831890 0.85 SIGMAR1 (0.66) SIGMAR1AVPR1ASSTR5ACHEBACE1
SCHEMBL4214518 0.83 SIGMAR1 (0.74) SIGMAR1AVPR1A
Hydrochloric Acid SCHEMBL6819860 0.83 SIGMAR1 (0.70) SIGMAR1SSTR5
SCHEMBL2361177 0.82 SIGMAR1 (0.73) SIGMAR1
SCHEMBL747866 0.81 SIGMAR1 (1.00) SIGMAR1SSTR5
Hydrochloric Acid SCHEMBL6314091 0.80 SIGMAR1 (0.97) SIGMAR1SSTR5
SCHEMBL20954987 0.79 SIGMAR1 (0.55) SIGMAR1ACHE
SCHEMBL16835934 0.77 SIGMAR1 (0.65) SIGMAR1AVPR1A
SCHEMBL4359848 0.77 AVPR1A (0.61) AVPR1A

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
US-6803372-B2 SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-10-12 — — US disclosed
US-6723847-B2 3-OXO-N-(5-PHENYL-2-PYRIMIDINYL)SPIRO(4-AZAISOBENZOFURAN-1 (3H),1'-CYCLOHEXANE)-4'-CARBOXAMIDE; NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-04-20 — — US disclosed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 — — US disclosed
US-6649624-B2 Useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-11-18 — — US disclosed
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 — — EP disclosed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 — — US disclosed
US-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes MSD K.K. (JP) 2002-12-12 — — US disclosed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 — — US disclosed
US-6462053-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-10-08 — — US disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 — — EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 — — US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 — — US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 — — US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 — — 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 (5 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-20020188124-A1 Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes NPY1R, GPR119, NPY2R SIGMAR1 152/4885AVPR1A 64/4885SSTR5 53/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 SIGMAR1 58/4885AVPR1A 57/4885SSTR5 207/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 SIGMAR1 66/4885AVPR1A 60/4885SSTR5 217/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 SIGMAR1 56/4885AVPR1A 54/4885SSTR5 285/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R SIGMAR1 142/4885AVPR1A 28/4885SSTR5 83/4885

“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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