SCHEMBL480829

SCHEMBL480829

O=C1O[C@]2(CC[C@H](C(=O)O)CC2)c2ccncc21

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 20/20 0.65

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
SCHEMBL6820800 1.00 NPY5R (0.65) NPY5R
SCHEMBL13950030 0.90 NPY5R (0.65) NPY5R
SCHEMBL13403193 0.90 NPY5R (0.65) NPY5R
SCHEMBL1582177 0.90 NPY5R (0.65) NPY5R
SCHEMBL1582179 0.90 NPY5R (0.65) NPY5R
SCHEMBL6820751 0.85 NPY5R (0.56) NPY5R
SCHEMBL6820752 0.85 NPY5R (0.56) NPY5R
SCHEMBL17804385 0.82 NPY5R (0.54) NPY5R
SCHEMBL13710674 0.82 NPY5R (0.54) NPY5R
SCHEMBL1582282 0.82 NPY5R (0.60) NPY5R

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063987-A1 Method for producing alkoxymalononitriles BARTEK JOHANNES (CH) 2004-04-01 US claimed
US-6673957-B2 DEHYDRATION OF ALKOXY MALONIC ACID DIAMIDES LONZA AG (CH) 2004-01-06 US claimed
US-20030144538-A1 Method for producing alkoxy malonic acid dinitriles LONZA AG (CH) 2003-07-31 US claimed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
EP-1953165-B1 AZA-SUBSTITUTED SPIRO DERIVATIVE MSD KK (JP) 2012-02-01 EP disclosed
US-20090258871-A1 Aza-Substituted Spiro Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-10-15 US disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP 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-20040063987-A1 Method for producing alkoxymalononitriles BARTEK JOHANNES (CH) 2004-04-01 US disclosed
US-20040063987-A1 Method for producing alkoxymalononitriles BARTEK JOHANNES (CH) 2004-04-01 US disclosed
US-6673957-B2 DEHYDRATION OF ALKOXY MALONIC ACID DIAMIDES LONZA AG (CH) 2004-01-06 US disclosed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US disclosed
US-20030144538-A1 Method for producing alkoxy malonic acid dinitriles LONZA AG (CH) 2003-07-31 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-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

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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A NPY5R 423/4885
US-20040063987-A1 Method for producing alkoxymalononitriles AQP1, KCNH1, CNOT1 NPY5R 3360/4885
US-20030144538-A1 Method for producing alkoxy malonic acid dinitriles ME1, ADH1C, CA6 NPY5R 4429/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 NPY5R 43/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885
US-20090258871-A1 Aza-Substituted Spiro Derivatives AZI2, NR3C2, DNMT3A NPY5R 423/4885

“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.