SCHEMBL2793129

SCHEMBL2793129

CC1(C)Cc2ccccc2C1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
SIGMAR1 Q99720 2/20 0.40
ANPEP P15144 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HBB P68871 1/20 0.37
KDM1A O60341 3/20 0.37
PDPK1 O15530 1/20 0.37

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
SCHEMBL21845156 1.00 HTR2A (0.43) HTR2ASIGMAR1ANPEPKDM4EALDH1A1
SCHEMBL9493200 0.80 PDPK1 (0.43) HTR2AKDM1APDPK1
SCHEMBL24388765 0.80 HTR2A (0.41) HTR2ASIGMAR1ANPEPKDM4EALDH1A1
SCHEMBL23811378 0.80 HTR2A (0.41) HTR2ASIGMAR1ANPEPKDM4EALDH1A1
SCHEMBL21887274 0.77 HTR2A (0.41) HTR2ASIGMAR1ANPEPKDM4EALDH1A1
SCHEMBL24389159 0.77 HTR2A (0.38) HTR2ASIGMAR1KDM1A
SCHEMBL9247940 0.77 MAOB (0.40) HTR2ASIGMAR1KDM1A
SCHEMBL2582726 0.77 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1MAPTHPGD
SCHEMBL1745011 0.75 ALOX15 (0.44) SIGMAR1KDM4EALDH1A1MAPTHPGD
SCHEMBL700442 0.75 SIGMAR1 (0.40) SIGMAR1KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
CN-101489984-B Aminoindan derivative or salt thereof ASTELLAS PHARMA INC 2013-04-03 CN disclosed
US-20100167925-A1 Substituted Azolin-2-yl-Amino Compounds BASF SE (DE) 2010-07-01 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
CN-101489984-A Aminoindan derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-07-22 CN disclosed
EP-2051970-A1 SUBSTITUTED AZOLIN-2-YL-AMINO COMPOUNDS BASF SE (DE) 2009-04-29 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed
WO-2008017649-A1 SUBSTITUTED AZOLIN-2-YL-AMINO COMPOUNDS BASF SE (DE) 2008-02-14 WO disclosed
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
US-6139769-A CONTACTING A SUBSTRATE WITH AN AQUEOUS SOLUTION COMPRISING A PEROXIDE AND A METAL COMPLEX BLEACH ACTIVATOR FOR LAUNDERING AND CLEANING CLARIANT GMBH (DE) 2000-10-31 US disclosed
US-5998645-A LAUNDERING DETERGENTS; CLEANING COMPOUNDS CLARIANT GMBH (DE) 1999-12-07 US disclosed
US-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 US disclosed
EP-0314852-B1 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA GEIGY AG (CH) 1993-11-18 EP disclosed
US-5246915-A Herbicides JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-21 US disclosed
US-4994103-A Herbicides; rice, corn JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-19 US disclosed
US-4921955-A Process for the synthesis of 1-substituted imidazole-5-carboxylic acids and carboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1990-05-01 US disclosed
US-4878940-A SELECTIVE, FOR USE WITH CROPS JANSSEN PHARMACEUTICA N.V. (BE) 1989-11-07 US disclosed
EP-0314852-A2 Process for the preparation of 1-substituted imidazole-carbonic acid and derivatives CIBA-GEIGY AG (CH) 1989-05-10 EP disclosed
EP-0289066-A1 1,5-Substituted 1H-imidazoles JANSSEN PHARMACEUTICA N.V. (BE) 1988-11-02 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 (2 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-20100167925-A1 Substituted Azolin-2-yl-Amino Compounds CBR3, NR2C2, HRH3 HTR2A 2704/4885SIGMAR1 1391/4885ANPEP 1763/4885
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 HTR2A 2824/4885SIGMAR1 1445/4885ANPEP 1807/4885

“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.