SCHEMBL2123068

SCHEMBL2123068

[CH2]Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.73
HTR2A P28223 3/20 0.65
HTR1A P08908 2/20 0.56
MPO P05164 8/20 0.50
HTR2C P28335 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
KMT2A Q03164 1/20 0.46
HTR6 P50406 1/20 0.46
SLC6A4 P31645 1/20 0.45

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
SCHEMBL27661274 0.86 HTR2A (0.71) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL3741788 0.85 GPR84 (0.73) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL27929607 0.85 GPR84 (1.00) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL31415125 0.81 HTR2A (0.75) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL6846117 0.81 GPR84 (0.73) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL24199403 0.81 GPR84 (0.73) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL5636918 0.80 HTR2A (0.67) GPR84HTR2AHTR1AMPOTRPM8
SCHEMBL4496642 0.79 HTR2A (0.71) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL30952647 0.79 HTR2A (1.00) GPR84HTR2AHTR1AMPOHTR2C
SCHEMBL743153 0.79 HTR2A (1.00) GPR84HTR2AHTR1AMPOHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-106458889-A Novel polymorphic forms of N- [2- (6-fluoro-1H-indol-3-yl) ethyl ] -3- (2,2,3, 3-tetrafluoropropoxy) benzylamine hydrochloride for the treatment of Alzheimer's disease H.隆德贝克有限公司 2017-02-22 CN 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
US-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2013-07-25 US disclosed
US-8389730-B2 Compositions and methods for the treatment of disease associated with TRP-P8 expression DENDREON CORPORATION (US) 2013-03-05 US disclosed
US-8362264-B2 Tryptophan antagonist; anticancer agents DENDREON CORPORATION (US) 2013-01-29 US disclosed
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2012-04-19 US disclosed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP disclosed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 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-4138489-A FORMALDEHYDE, QUATERNIZATION AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (ANVAR) (FR) 1979-02-06 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 (4 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-20130190296-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR84 82/4885HTR2A 348/4885HTR1A 155/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR84 40/4885HTR2A 168/4885HTR1A 74/4885
US-20150266810-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR84 106/4885HTR2A 502/4885HTR1A 234/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 GPR84 40/4885HTR2A 168/4885HTR1A 74/4885

“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.