Sugi Predict

Sugi Predict / Compounds / SCHEMBL833048

SCHEMBL833048

SCHEMBL833048

O=[C]CC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.50
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ RET P07949 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ FFAR1 O14842 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
SCHEMBL2321934 0.89 CYP19A1 (0.46) IDO1PDPK1
SCHEMBL627090 0.81 HTR6 (0.50) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL1568298 0.79 HTR6 (0.54) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL3104608 0.79 HTR6 (0.54) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL3980044 0.77 HTR6 (0.46) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL13363903 0.77 HTR6 (0.46) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL1567620 0.76 MTNR1A (0.54) HTR6MTNR1AMTNR1BBCHEIDO1
SCHEMBL6925206 0.75 HTR6 (0.54) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL61507 0.75 HTR6 (0.59) HTR6MTNR1AMTNR1BMAOAMAOB
SCHEMBL9115029 0.75 HTR6 (0.54) HTR6MTNR1AMTNR1BMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020061839-A1 Serine peptidase modulators SCHARPE SIMON LODEWIJK (BE) 2002-05-23 — — US claimed
JP-2002506075-A — — 2002-02-26 — — JP claimed
EP-1062222-A1 SERINE PEPTIDASE MODULATORS Fondatech Benelux N.V. (BE) 2000-12-27 — — EP claimed
WO-1999046272-A1 SERINE PEPTIDASE MODULATORS FONDATECH BENELUX N.V. (BE) 1999-09-16 — — WO claimed
CN-1209994-A Use of inhibitors of sodium-hyfrogen exchanger for production of pharmaceutical for treatment of disorders which are caused by protozoa HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-10 — — CN claimed
CN-1209995-A Use of sodium-hydrogen exchanger inhibitors for the production of a medicament for reducing the adverse effects of substances on the heart HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-10 — — CN claimed
CN-1209316-A Combined medicinal preparation of sodium/hydrogen exchange-pump inhibitor and medicine for treatment of angiocardiopathy HOECHST MARION ROUSSEL DE GMBH (DE) 1999-03-03 — — CN claimed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 — — US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 — — EP disclosed
US-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME KYOTO UNIVERSITY (JP) 2011-10-13 — — US disclosed
EP-2357177-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME Kyoto University (JP) 2011-08-17 — — EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 — — EP disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 — — US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 — — US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 — — US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 — — US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 — — US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 — — US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 — — US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 — — US 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-20110251393-A1 HELICENE DERIVATIVE, AXIALLY ASYMMETRIC AMINO ACID, AMINE OR AMINOALCOHOL DERIVATIVE, PERYLENE DERIVATIVE OR SALT THEREOF, AND METHODS FOR PRODUCING SAME AADAT, AASDHPPT, AZI2 HTR6 1268/4885MTNR1A 2924/4885MTNR1B 3497/4885
US-20020061839-A1 Serine peptidase modulators FAP, CTSC, DPP4 HTR6 2507/4885MTNR1A 3118/4885MTNR1B 1916/4885

“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.