SCHEMBL9562200

SCHEMBL9562200

Fc1cccc(CCC2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
SLC6A3 Q01959 2/20 0.49
SLC6A2 P23975 1/20 0.49
TAAR1 Q96RJ0 3/20 0.47
HTR6 P50406 1/20 0.46
GBA1 P04062 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL4321331 0.91 SLC6A3 (0.50) MAOAMAOBSLC6A3SLC6A2TAAR1
SCHEMBL27962854 0.91 MAOA (0.51) MAOAMAOBSLC6A3SLC6A2TAAR1
SCHEMBL28037466 0.91 MAOA (0.51) MAOAMAOBSLC6A3SLC6A2TAAR1
SCHEMBL14395417 0.84 GBA1 (0.46) MAOAMAOBGBA1
SCHEMBL3966432 0.83 GBA1 (0.62) SLC6A3SLC6A2HTR6GBA1
SCHEMBL13569151 0.83 MAOA (0.59) MAOAMAOBSLC6A3TAAR1HTT
SCHEMBL9561728 0.83 HRH3 (0.44) MAOAMAOBGBA1
Hydrochloric Acid SCHEMBL30522822 0.82 GBA1 (0.61) SLC6A3SLC6A2HTR6GBA1
Hydrochloric Acid SCHEMBL4777854 0.82 GBA1 (0.61) SLC6A3SLC6A2HTR6GBA1
SCHEMBL8031355 0.81 MAOA (0.57) MAOAMAOBSLC6A3TAAR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018055096-A1 DISUBTITUTED AZETIDINES, PYRROLIDINES, PIPERIDINES AND AZEPANES AS INHIBITORS OF MONOAMINE OXIDASE B FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIVERSITY OF LJUBLJANA (SI) 2018-03-29 WO disclosed
US-9902712-B2 Nitrogenous heterocyclic derivatives and their application in drugs SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-27 US disclosed
EP-3083584-B1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN THE TREATMENT OF TISSUE FIBROSIS SUNSHINE LAKE PHARMA CO LTD (CN) 2018-02-21 EP disclosed
CN-104725356-B Nitrogen heterocyclic derivatives and application thereof in medicine 广东东阳光药业有限公司 2017-02-22 CN disclosed
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 US disclosed
CN-104725356-A Nitrogen heterocyclic derivatives and application thereof in medicine GUANGDONG HEC PHARMACEUTICAL 2015-06-24 CN disclosed
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919494-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7915261-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-03-29 US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
EP-1849773-A1 PYRIDYL NON-AROMATIC NITROGENATED HETEROCYCLIC-1-CARBOXYLATE ESTER DERIVATIVE Astellas Pharma Inc. (JP) 2007-10-31 EP disclosed
CN-1989119-A New benzoyl urea derivatives RICHTER GEDEON VEGYESZET (HU) 2007-06-27 CN disclosed
EP-0524846-A1 2-(Piperidin-1-yl)ethanol derivatives, their preparation and their use in therapeutics SYNTHELABO (FR) 1993-01-27 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-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH MAOA 192/4885MAOB 156/4885SLC6A3 1204/4885
US-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 MAOA 60/4885MAOB 40/4885SLC6A3 1359/4885
US-20160355501-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS TNNC1, IAPP, TNNI3 MAOA 120/4885MAOB 435/4885SLC6A3 1700/4885
US-20100009971-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR1 MAOA 61/4885MAOB 42/4885SLC6A3 1391/4885

“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.