SCHEMBL2736687

SCHEMBL2736687

CCCCNC(=O)C1CCCC1

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.83
GAA P10253 1/20 0.60
GNAI3 P08754 2/20 0.60
GNAO1 P09471 2/20 0.60
GNAI1 P63096 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
KDM4E B2RXH2 1/20 0.51
EPHX1 P07099 2/20 0.50
PRCP P42785 1/20 0.50

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
SCHEMBL6359440 0.98 NAAA (0.86) NAAAGAAGNAI3GNAO1GNAI1
SCHEMBL2639022 0.98 NAAA (0.86) NAAAGAAGNAI3GNAO1GNAI1
SCHEMBL8690057 0.96 NAAA (0.77) NAAAGAAGNAI3GNAO1GNAI1
SCHEMBL1753872 0.94 NAAA (0.93) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL15189057 0.92 NAAA (0.96) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL4555028 0.92 NAAA (0.96) NAAAGAAGNAI3GNAO1GNAI1
SCHEMBL1679331 0.92 NAAA (0.70) NAAAGAAGNAI3GNAO1GNAI1
SCHEMBL8847632 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL6267383 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1EPHX1
SCHEMBL28832373 0.91 NAAA (1.00) NAAAGNAI3GNAO1GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3086814-B1 DRUG CONJUGATES (ADCS) WITH KINESIN SPINDEL PROTEIN (KSP) Bayer Pharma AG (DE) 2020-06-24 EP disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-7495009-B2 Imidazopyridine derivatives as melancortin receptor agonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed
US-4248859-A USED IN EDIBLE AND TOPICAL PREPARATIONS WILKINSON SWORD LIMITED (GB) 1981-02-03 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 (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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 NAAA 1572/4885GAA 1880/4885GNAI3 216/4885
US-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 NAAA 1965/4885GAA 4868/4885GNAI3 1361/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R NAAA 2273/4885GAA 4880/4885GNAI3 1445/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 NAAA 206/4885GAA 3645/4885GNAI3 1148/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 NAAA 1572/4885GAA 1880/4885GNAI3 216/4885

“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.