SCHEMBL217937

SCHEMBL217937

[CH2]Cc1c[nH]c2ccc(OC)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.76
HTR2B P41595 3/20 0.71
HTR2A P28223 5/20 0.68
HTR1A P08908 5/20 0.68
HTR2C P28335 3/20 0.68
CYP2D6 P10635 2/20 0.68
CYP1A2 P05177 2/20 0.68
HTR1D P28221 2/20 0.68
HTR1B P28222 2/20 0.68
HTR7 P34969 2/20 0.68
HTR6 P50406 2/20 0.68
HTR4 Q13639 2/20 0.68
MAPT P10636 1/20 0.68
TSHR P16473 1/20 0.68
NFKB1 P19838 1/20 0.68
TRPM8 Q7Z2W7 1/20 0.68
BLM P54132 1/20 0.66
PMP22 Q01453 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SLC6A4 P31645 1/20 0.65

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
SCHEMBL16824132 0.88 SLC6A4 (0.71) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL2125628 0.87 HTR2A (0.68) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL5431365 0.86 GPR84 (1.00) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL5817142 0.85 GPR84 (0.59) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL178561 0.85 GPR84 (0.78) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL12612851 0.84 HTR1B (0.56) GPR84HTR2BHTR2AHTR1ACYP2D6
SCHEMBL1723383 0.83 CYP2D6 (0.77) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL947733 0.83 GPR84 (0.76) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL3976318 0.83 HTR2B (1.00) GPR84HTR2BHTR2AHTR1AHTR2C
SCHEMBL18929855 0.83 SLC6A4 (0.72) GPR84HTR2BHTR2AHTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871718-B2 Transglutaminase inhibitors and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-10-28 US claimed
EP-2688883-A1 NOVEL PYRIMIDINE DERIVATIVES Chemilia AB (SE) 2014-01-29 EP claimed
US-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2013-04-25 US claimed
WO-2012127032-A1 NOVEL PYRIMIDINE DERIVATIVES CHEMILIA AB (SE) 2012-09-27 WO 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
US-6784293-B1 SOLUTION AND SOLID-PHASE SYNTHESIS OF BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/ DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY 2004-08-31 US claimed
US-6436919-B1 LOCAL ANESTHETICS THAT HAVE LONGER DURATION OF ACTION WHILE REDUCING UNDESIRED SIDE EFFECTS THERAVANCE INC. 2002-08-20 US claimed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP claimed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 WO claimed
CN-1196049-A Acylated derivatives of melatonin and its analogues, useful as medicaments CEMAF (FR) 1998-10-14 CN claimed
EP-4373807-A1 METHOD FOR PREPARING A TRYPTAMINE DERIVATIVE GH Research Ireland Limited (IE) 2024-05-29 EP disclosed
CN-117858866-A Process for preparing tryptamine derivatives GH研究爱尔兰有限公司 2024-04-09 CN disclosed
EP-1216243-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS Advanced Medicine, Inc. (US) 2002-06-26 EP disclosed
WO-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed
WO-2001025234-A1 QUINAZOLINONES AND ANALOGUES AND THEIR USE AS LOCAL ANESTHETICS ADVANCED MEDICINE, INC. (US) 2001-04-12 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-20130102633-A1 TRANSGLUTAMINASE INHIBITORS AND METHODS OF USE THEREOF TGM2, TGM3, TGM1 GPR84 4129/4885HTR2B 2983/4885HTR2A 3436/4885
US-20120094977-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION TRPC4, TRPC3, TRPC1 GPR84 40/4885HTR2B 260/4885HTR2A 168/4885
US-20050054651-A1 Compositions and methods for the treatment of disease associated with Trp-p8 expression TRPC4, TRPC3, TRPC1 GPR84 40/4885HTR2B 260/4885HTR2A 168/4885

“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.