SCHEMBL833049

SCHEMBL833049

O=CCC1CCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
IDO1 P14902 2/20 0.44
PDPK1 O15530 1/20 0.42
HTR1A P08908 1/20 0.41
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
SCHEMBL5467690 0.89 IDO1 (0.47) IDO1PDPK1
SCHEMBL829496 0.88 HTR6 (0.43) HTR6IDO1
Ethoxycarbonyl Group SCHEMBL28770651 0.87 HTR6 (0.40) HTR6MTNR1AMTNR1BIDO1PDPK1
SCHEMBL2325962 0.82 MTNR1A (0.50) HTR6MTNR1AMTNR1BIDO1PDPK1
SCHEMBL3100368 0.81 HTR1A (0.55) HTR6MTNR1AMTNR1BIDO1PDPK1
SCHEMBL31355113 0.80 HTR6 (0.49) HTR6MTNR1AMTNR1BIDO1PDPK1
SCHEMBL31355114 0.80 HTR6 (0.49) HTR6MTNR1AMTNR1BIDO1PDPK1
SCHEMBL7683388 0.80 MTNR1A (0.48) HTR6MTNR1AMTNR1B
SCHEMBL1568298 0.79 HTR6 (0.54) HTR6MTNR1AMTNR1BIDO1PDPK1
Hydrochloric Acid SCHEMBL27504897 0.79 HTR6 (0.54) HTR6MTNR1AMTNR1BIDO1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260080976-A1 SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES PURDUE RESEARCH FOUNDATION (US) 2026-03-19 US disclosed
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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US disclosed
CN-100543022-C 2-furancarboxylic acid hydrazide compound and contain the pharmaceutical composition of this compound DAINIPPON PHARMACEUTICAL CO (JP) 2009-09-23 CN disclosed
EP-2051962-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-04-29 EP disclosed
US-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-08-28 US disclosed
WO-2008095058-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO. LTD. (TW) 2008-08-07 WO disclosed
WO-2008017989-A1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-02-14 WO disclosed
EP-1761618-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE Symrise GmbH & Co. KG (DE) 2007-03-14 EP disclosed
WO-2005123889-A1 USE OF A MIXTURE OF CIS- AND TRANS-3-METHYL-G-DECALACTONE AND COMPOSITIONS OF ODORIFEROUS SUBSTANCES AND PERFUMED ARTICLES COMPRISING SAID MIXTURE SYMRISE GMBH & CO. KG (DE) 2005-12-29 WO disclosed
CN-1628111-A 2-furancarboxylic acid hydrazides and pharmaceutical compositions containing the same DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 CN disclosed
EP-0661273-B1 Indane derivatives and processes for preparing the same TANABE SEIYAKU CO (JP) 1999-05-19 EP disclosed
US-5686452-A PROTECTING FROM ENDOTOXIN SHOCK; TREATMENT OF NEPHRITIS TANABE SEIYAKU CO., LTD. (JP) 1997-11-11 US disclosed
EP-0661273-A1 Indane derivative and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1995-07-05 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 (4 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-20080207528-A1 Administering derivatives of 4-(3-pyrrolidinyloxy)quinoline GLS2, SLC10A1, UGT1A1 HTR6 2644/4885MTNR1A 796/4885MTNR1B 426/4885
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR HTR6 219/4885MTNR1A 148/4885MTNR1B 116/4885
US-20260080976-A1 SYSTEM AND METHODS FOR GENERATION OF FRAGMENT MODULE LIBRARIES FOR LEAD OPTIMIZATION OF PHARMACEUTICALLY ACTIVE MOLECULES BACE2, ADAM33, SET HTR6 246/4885MTNR1A 2407/4885MTNR1B 2083/4885

“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.