SCHEMBL2124605

SCHEMBL2124605

[CH2]CC1CCc2ccccc2N1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.52
SMYD3 Q9H7B4 1/20 0.38
CREBBP Q92793 2/20 0.37
BRD4 O60885 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PLAU P00749 1/20 0.33
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
DRD3 P35462 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33

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
SCHEMBL4728695 0.86 MTNR1A (0.50) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL7951734 0.85 MTNR1A (0.55) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL4729455 0.83 MTNR1A (0.48) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3115244 0.81 MTNR1A (0.52) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL20870486 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL700861 0.81 MTNR1A (0.56) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL7149457 0.81 MTNR1A (0.56) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL22262591 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL4139663 0.81 MTNR1A (0.60) MTNR1ASMYD3CREBBPBRD4NPC1
SCHEMBL3972852 0.81 MTNR1A (0.52) MTNR1ASMYD3CREBBPBRD4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US claimed
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION V-BAC HOLDING CORP. (CA) 2015-09-24 US disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
WO-2006044645-A2 SULFAMOYL BENZAMIDES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2006-04-27 WO disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression DENDREON CORPORATION (US) 2005-03-10 US disclosed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO disclosed
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 MTNR1A 3712/4885SMYD3 1646/4885CREBBP 296/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 MTNR1A 1560/4885SMYD3 3707/4885CREBBP 1702/4885
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MTNR1A 384/4885SMYD3 3962/4885CREBBP 2804/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 MTNR1A 453/4885SMYD3 3887/4885CREBBP 2496/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 MTNR1A 358/4885SMYD3 3945/4885CREBBP 2780/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 MTNR1A 3712/4885SMYD3 1646/4885CREBBP 296/4885

“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.