SCHEMBL1240196

SCHEMBL1240196

N[C@@H]1Cc2ccccc2[C@H]1O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.47
HTR2A P28223 1/20 0.45
ANPEP P15144 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL1239152 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL29808940 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL14490666 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1239150 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1134242 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1643076 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL8309860 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL29809038 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL6767234 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D
SCHEMBL1239149 1.00 KDM1A (0.47) KDM1AHTR2AANPEPSIGMAR1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560482-B2 Inhibitors of plasmepsins THE JOHNS HOPKINS UNIVERSITY (US) 2009-07-14 US claimed
US-20050037953-A1 Inhibitors of plasmepsins NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-17 US claimed
US-6171832-B1 FERMENTING STARTING MATERIAL IN CULTURE, RECOVERING PRODUCT; BY PRODUCT INHIBITION; CHEMICAL INTERMEDIATE FOR SYNTHESIS OF INDINAVIR, A POTENT HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITOR MERCK & CO., INC. 2001-01-09 US claimed
US-5871981-A COMPOUNDS FOR TREATMENT OF AIDS MERCK & CO., INC. (US) 1999-02-16 US claimed
US-5858737-A INCUBATING MIXTURE OF INDENE AND PSEUDOMONAS PUTIDA TO GIVE DESIRED ISOMER OF INDANDIOL MERCK & CO., INC. (US) 1999-01-12 US claimed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-7880009-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; (E)-N-biphenyl-3-ylmethyl-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)acrylamide for example; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42 EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-02-01 US disclosed
EP-2261218-A2 Process for preparing phenyl-, pyridinyl- or pyrimidinyl-substituted imidazoles Eisai R&D Management Co., Ltd. (JP) 2010-12-15 EP disclosed
US-7687640-B2 Cinnamide compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-7667041-B2 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
WO-1998006866-A1 CONVERSION OF INDENE TO (1S)-AMINO-(2R)-INDANOL FREE OF ANY STEREOISOMER, BY COMBINATION OF DIOXYGENASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1998-02-19 WO disclosed
WO-1998006866-A1 CONVERSION OF INDENE TO (1S)-AMINO-(2R)-INDANOL FREE OF ANY STEREOISOMER, BY COMBINATION OF DIOXYGENASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1998-02-19 WO disclosed
US-5677469-A PREPARING MIXTURE OF CHIRAL ACID AND ENANTIOMER OF AMINOINDANOL IN SOLVENT, SEPARATING DIASTEREOMERIC SALT, RECOVERING CHIRAL ACID SEPRACOR, INC. (US) 1997-10-14 US disclosed
WO-1997000966-A1 CONVERSION OF INDENE TO (1S)-AMINO-(2R)-INDANOL FREE OF ANY STEREOISOMER, BY COMBINATION OF DIOXYGENASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1997-01-09 WO disclosed
WO-1997000966-A1 CONVERSION OF INDENE TO (1S)-AMINO-(2R)-INDANOL FREE OF ANY STEREOISOMER, BY COMBINATION OF DIOXYGENASE BIOCONVERSION AND CHEMICAL STEPS MERCK & CO., INC. (US) 1997-01-09 WO disclosed
US-5489710-A AMINATION BY MIXING WITH NITRILE SOLVENT, ACIDIFICATION AND HYDROLYZING WITH WATER MERCK & CO., INC. (US) 1996-02-06 US disclosed
US-5449830-A Enzyme inhibitors for protease encoded for HIV MARCK & CO., INC. (US) 1995-09-12 US disclosed
EP-0144235-A2 N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof WARNER-LAMBERT COMPANY (US) 1985-06-12 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C KDM1A 1903/4885HTR2A 695/4885ANPEP 2755/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KDM1A 823/4885HTR2A 373/4885ANPEP 1945/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 KDM1A 1761/4885HTR2A 155/4885ANPEP 4476/4885

“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.