SCHEMBL585204

SCHEMBL585204

COc1ccc2c(c1)CCC[C]2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.43
DRD1 P21728 6/20 0.42
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
DRD5 P21918 5/20 0.42
DRD4 P21917 4/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM1A O60341 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 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
SCHEMBL3117291 0.89 BCL2 (0.46) BCL2DRD1DRD2DRD3DRD5
SCHEMBL577377 0.86 DRD1 (0.42) BCL2DRD1DRD2DRD3DRD5
SCHEMBL18910926 0.77 BCL2 (0.53) BCL2DRD1DRD2DRD3DRD5
SCHEMBL7951555 0.74 DRD2 (0.43) BCL2DRD1DRD2DRD3DRD5
SCHEMBL577943 0.74 CYP3A4 (0.45) DRD1DRD2DRD3DRD5DRD4
SCHEMBL31028084 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL1506557 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL30299229 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL577378 0.72 DRD1 (0.62) BCL2DRD1DRD2DRD3DRD5
SCHEMBL9620930 0.72 MAOA (0.46) BCL2DRD1DRD2DRD3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP disclosed
EP-2500340-A1 2-Cyanophenyl Sulfonamide Derivatives Useful as Pesticides Syngenta Participations AG. (CH) 2012-09-19 EP disclosed
WO-2009109539-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-09-11 WO disclosed
WO-2009092590-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-30 WO disclosed
WO-2009087085-A2 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-16 WO disclosed
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION AJINOMOTO CO. INC. (JP) 2009-01-15 US disclosed
US-7365082-B2 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines BAYER CROPSCIENCE AG (DE) 2008-04-29 US disclosed
US-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORPORATION 2006-07-27 US disclosed
WO-1999040062-A1 HYDRAZONE DERIVATIVES NOVO NORDISK A/S (DK) 1999-08-12 WO disclosed
EP-0006217-B1 SUBSTITUTED AMINO ACIDS, THEIR USE AND PREPARATION, AND COMPOSITIONS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-31 EP disclosed
US-4243678-A GASTROINTESTINAL DISORDERS, LIVER DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-01-06 US disclosed
EP-0006217-A1 Substituted amino acids, their use and preparation, and compositions containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1980-01-09 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 (5 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-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines DDT, DRD4, DRD1 BCL2 1502/4885DRD1 3/4885DRD2 4/4885
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION GIPR, GRPR, CCKBR BCL2 3539/4885DRD1 1093/4885DRD2 693/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 BCL2 2449/4885DRD1 654/4885DRD2 220/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 BCL2 2585/4885DRD1 4699/4885DRD2 4735/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 BCL2 2449/4885DRD1 654/4885DRD2 220/4885

“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.