Sugi Predict

Sugi Predict / Compounds / SCHEMBL971871

SCHEMBL971871

SCHEMBL971871

COc1ccc2c(c1)CCC[CH]2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ BCL2 P10415 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ DRD2 P14416 5/20 0.43
▸ DRD1 P21728 5/20 0.43
▸ DRD5 P21918 5/20 0.43
▸ DRD3 P35462 5/20 0.43
▸ DRD4 P21917 4/20 0.43
▸ MPO P05164 1/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ CYP19A1 P11511 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GAA P10253 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
SCHEMBL5713796 0.85 DRD2 (0.43) MAOAMAOBCYP11B2BCL2DRD2
SCHEMBL17288645 0.77 GPR3 (0.42) —
SCHEMBL27640949 0.75 ABL1 (0.43) MAOAMAOBCYP11B1CYP11B2PTGS2
SCHEMBL17288711 0.75 ALDH1A1 (0.39) —
SCHEMBL1479378 0.74 MAOA (0.50) MAOAMAOBCYP11B1CYP11B2BCL2
SCHEMBL577378 0.74 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL1506557 0.74 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL31028084 0.74 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL30299229 0.74 DRD1 (0.62) BCL2DRD2DRD1DRD5DRD3
SCHEMBL9620930 0.74 MAOA (0.46) MAOAMAOBCYP11B1CYP11B2BCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8524896-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2013-09-03 — — US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 — — EP 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
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
US-20110009261-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-01-13 — — US disclosed
EP-2265579-A2 2-CYANOBENZENSULFONAMIDE DERIVATIVES HAVING PESTICIDAL PROPERTIES Syngenta Participations AG (CH) 2010-12-29 — — EP disclosed
US-20100311582-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-12-09 — — US disclosed
EP-2231632-A2 2-CYANOPHENYL SULFONAMIDE DERIVATIVES USEFUL AS PESTICIDES Syngenta Participations AG (CH) 2010-09-29 — — 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
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 (6 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 MAOA 1984/4885MAOB 1026/4885CYP11B1 3098/4885
US-20090018161-A1 METHOD FOR PROMOTING GASTROINTESTINAL FUNCTION AND METHOD FOR SCREENING FOR PROMOTER OF GASTROINTESTINAL FUNCTION GIPR, GRPR, CCKBR MAOA 533/4885MAOB 556/4885CYP11B1 1266/4885
US-20110009261-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CYCS MAOA 1441/4885MAOB 959/4885CYP11B1 679/4885
US-20100311582-A1 CHEMICAL COMPOUNDS CBR3, CBR1, CCNY MAOA 1043/4885MAOB 939/4885CYP11B1 578/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 MAOA 113/4885MAOB 166/4885CYP11B1 1096/4885
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 MAOA 113/4885MAOB 166/4885CYP11B1 1096/4885

“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.