SCHEMBL612153

SCHEMBL612153

O=C1CCC2(CC1)OC(=O)c1ccccc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
AVPR1A P37288 6/20 0.49
NPY5R Q15761 9/20 0.47
CFTR P13569 1/20 0.46
GOPC Q9HD26 1/20 0.46
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
HSD11B1 P28845 1/20 0.43

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
SCHEMBL21820636 0.89 SIGMAR1 (0.49) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL8777675 0.88 SIGMAR1 (0.61) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL10252829 0.85 SIGMAR1 (0.58) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL6427482 0.83 SIGMAR1 (0.56) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL15710462 0.81 SIGMAR1 (0.55) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL18854250 0.81 SIGMAR1 (0.55) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL11839999 0.80 SIGMAR1 (0.54) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL171980 0.80 SIGMAR1 (0.54) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL15076889 0.80 SIGMAR1 (0.54) SIGMAR1AVPR1ANPY5RCFTRGOPC
SCHEMBL29674557 0.80 SIGMAR1 (0.54) SIGMAR1AVPR1ANPY5RCFTRGOPC

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
EP-1795527-B1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMA CO LTD (JP) 2009-04-22 EP 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 64/4885NPY5R 13/4885
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 SIGMAR1 689/4885AVPR1A 101/4885NPY5R 1843/4885
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 SIGMAR1 58/4885AVPR1A 57/4885NPY5R 48/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 SIGMAR1 66/4885AVPR1A 60/4885NPY5R 34/4885
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 SIGMAR1 803/4885AVPR1A 813/4885NPY5R 158/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R SIGMAR1 142/4885AVPR1A 28/4885NPY5R 4/4885

“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.