SCHEMBL497951

SCHEMBL497951

[CH2]C1(c2ccccc2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.46
AKR1C1 Q04828 1/20 0.46
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
CYP2B6 P20813 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
PRCP P42785 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
KCNH2 Q12809 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
GAA P10253 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41

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
SCHEMBL5467676 0.97 GRIN2D (0.47) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL5925064 0.95 DPP4 (0.41) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
SCHEMBL498013 0.89 OPRM1 (0.44) DPP4AKR1C1SLC6A2SLC6A4SLC6A3
SCHEMBL16878896 0.78 OPRM1 (0.61) OPRM1
SCHEMBL8116292 0.75 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL27575342 0.75 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL9037762 0.75 SLC6A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5259881 0.75 OPRM1 (0.55) GRIN2DGRIN3BSLC6A4GRIN1KCNH2
SCHEMBL23628451 0.74 DPP4 (0.46) DPP4AKR1C1GRIN2DGRIN3BCYP2B6
Ammonia Solution, Strong SCHEMBL8967959 0.74 ESR1 (0.56) GRIN2DGRIN3BCYP2B6SLC6A2SLC6A4

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 126 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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 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-1053224-B1 BIPHENYLSULFONYL CYANAMIDES, METHOD FOR THE PRODUCTION THEREOF AND THEIR UTILIZATION AS A MEDICAMENT AVENTIS PHARMA GMBH (DE) 2002-08-21 EP claimed
US-6369069-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-09 US claimed
CN-103772239-B amide and amidine derivatives and uses thereof ABBVIE 公司 2017-04-12 CN disclosed
CN-103848806-B Glucopyranosyl derivatives, its preparation method and in application pharmaceutically SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-04-06 CN disclosed
CN-103319445-B Crystalline structure of SGLT2 inhibitor and preparation method thereof ASTRAZENECA AB (SE) 2016-01-20 CN disclosed
CN-105193761-A BILAYER TABLET FORMULATIONS ASTRAZENECA AB 2015-12-30 CN disclosed
CN-102711739-B Bilayer tablet ASTRAZENECA AB (SE) 2015-12-16 CN disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed
EP-0495982-A1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-07-29 EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 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 (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-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 DPP4 2440/4885AKR1C1 3419/4885GRIN2D 3960/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 DPP4 2609/4885AKR1C1 3607/4885GRIN2D 3932/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 DPP4 2440/4885AKR1C1 3419/4885GRIN2D 3960/4885

“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.