SCHEMBL2005355

SCHEMBL2005355

COc1ccc(N2CCNCC2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HTR2C P28335 9/20 0.47
HTR2B P41595 8/20 0.47
HTR6 P50406 2/20 0.45
HTR2A P28223 4/20 0.45
RAD52 P43351 1/20 0.44
HTR1A P08908 2/20 0.43
HTR1B P28222 2/20 0.43
HTR1D P28221 1/20 0.43
MAOA P21397 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL19709299 0.87 ADRB1 (0.60) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21098564 0.83 ADRB1 (0.59) ADRB1HTR3AHTR2CHTR2BHTR6
SCHEMBL4272059 0.83 ADRB1 (0.59) ADRB1HTR3AHTR2CHTR2BHTR6
SCHEMBL21659573 0.83 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21659238 0.83 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21659350 0.83 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL19627310 0.82 LIPE (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23855493 0.82 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23855502 0.82 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL23855494 0.82 HTR2C (0.43) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-08-02 US claimed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP claimed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
EP-1218384-A4 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-11-20 EP claimed
EP-1218384-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-07-03 EP claimed
WO-2001023392-A1 TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-04-05 WO claimed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 WO disclosed
US-5668131-A CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1997-09-16 US disclosed
US-4861879-A VAGINAL FUNGICIDE JANSSEN PHARMACEUTICA N.V. (BE) 1989-08-29 US disclosed
EP-0118138-B1 ((4-(4-(4-PHENYL-1-PIPERAZINYL)PHENOXYMETHYL)-1,3-DIOXOLAN-2-YL)METHYL)-1H-IMIDAZOLES AND 1H-1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 EP disclosed
US-4735942-A FUNGICIDE, BACTERICIDE PARTICULARLY FOR UROGENITAL DISORDERS JANSSEN PHARMACEUTICA, N.V. (BE) 1988-04-05 US disclosed
US-4619931-A BACTERICIDES, FUNGICIDES JANSSEN PHARMACEUTICA, N.V. (BE) 1986-10-28 US disclosed
EP-0118138-A1 ((4-(4-(4-Phenyl-1-piperazinyl)phenoxymethyl)-1,3-dioxolan-2-yl)methyl)-1H-imidazoles and 1H-1,2,4-triazoles JANSSEN PHARMACEUTICA N.V. (BE) 1984-09-12 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 ADRB1 57/4885HTR3E 265/4885HTR3B 126/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ADRB1 395/4885HTR3E 860/4885HTR3B 377/4885
US-20070179155-A1 N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, HTR2A, HTR5A ADRB1 49/4885HTR3E 18/4885HTR3B 10/4885
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP ADRB1 257/4885HTR3E 848/4885HTR3B 886/4885

“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.