SCHEMBL432767

SCHEMBL432767

COc1ccc2c(c1)OCC(N)C2

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
DRD3 P35462 2/20 0.54
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
MTNR1A P48039 2/20 0.44
CYP19A1 P11511 1/20 0.43
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
KYAT1 Q16773 1/20 0.40
KYAT3 Q6YP21 1/20 0.40
AADAT Q8N5Z0 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40

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 SCHEMBL6595209 0.98 DRD2 (0.53) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL9082928 0.87 MTNR1A (0.57) DRD2DRD3ALOX15ALOX12MTNR1A
Hydrochloric Acid SCHEMBL10780018 0.86 MTNR1A (0.56) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL24090453 0.82 ALOX15 (0.47) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL31525729 0.82 ALOX15 (0.47) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL17489430 0.81 MTNR1B (0.44) MTNR1AMAPTMAPK1
SCHEMBL9441724 0.81 ALOX15 (0.49) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL26387382 0.81 ALOX15 (0.46) DRD2DRD3ALOX15ALOX12MTNR1A
SCHEMBL19418881 0.78 ALOX15 (0.72) ALOX15ALOX12MTNR1ACYP19A1
SCHEMBL25110343 0.78 ALOX15 (0.44) DRD2DRD3ALOX15ALOX12MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBVIE, INC. (US) 2013-06-27 US disclosed
US-8350083-B2 Antagonists of the TRPV1 receptor and uses thereof ABBVIE INC. (US) 2013-01-08 US disclosed
EP-2450346-A1 Antagonists of the TRPV1 receptor and uses thereof Abbott Laboratories (US) 2012-05-09 EP disclosed
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
US-8030504-B2 Pain, especially, inflammatory hyperalgesia, ostheoarthritic pain, chronic lower pain, allodynia, migraine. Methods of controlling pain and treating bladder overactivity and urinary incontinence ABBOTT LABORATORIES (US) 2011-10-04 US disclosed
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed
US-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
US-7172867-B2 Methods of testing for allergic diseases, and therapeutic agents for treating same GENOX RESEARCH, INC. (JP) 2007-02-06 US disclosed
EP-0842927-B1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-02-25 EP disclosed
US-5849755-A 3-amidochromanylsulfonyl(thio)ureas, processes for their preparation, their use, and pharmaceutical preparations comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0842927-A1 3-Amido-chromanylsulfonyl(thio)ureas, process for their preparation, their use and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-20 EP disclosed
US-5510374-A USEFUL IN TREATMENT OF DISORDERS OF THE SEROTINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-04-23 US disclosed
US-5346916-A FOR TREATING ANIMALS SUFFERING FROM DISORDERS OF THE SEROTONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1994-09-13 US disclosed
US-5314907-A 3-aminochroan compounds ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed
US-5273994-A Also hydroxy- or alkyl ether-substituted ADIR ET COMPAGNIE (FR) 1993-12-28 US disclosed
US-5252578-A Treatment of disorders of teh serotoninergic system ADIR ET COMPAGNIE (FR) 1993-10-12 US disclosed
EP-0181109-B1 N6-BENZOPYRANO- AND BENZOTHIOPYRANO-ADENOSINES WARNER-LAMBERT COMPANY (US) 1989-09-06 EP 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 (3 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-20080153871-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 DRD2 309/4885DRD3 234/4885ALOX15 889/4885
US-20130165479-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 DRD2 287/4885DRD3 216/4885ALOX15 1027/4885
US-20120022103-A1 ANTAGONISTS OF THE TRPV1 RECEPTOR AND USES THEREOF TRPV1, TRPV3, TRPV2 DRD2 309/4885DRD3 234/4885ALOX15 889/4885

“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.