SCHEMBL1334281

SCHEMBL1334281

c1ccc(OCCC2CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.51
ITGA2B P08514 8/20 0.51
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
HRH1 P35367 1/20 0.50
SLC6A3 Q01959 1/20 0.50
GBA1 P04062 1/20 0.50
TEAD1 P28347 1/20 0.50
TEAD3 Q99594 1/20 0.50
HTR3A P46098 1/20 0.47
KCNH2 Q12809 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
Hydrochloric Acid SCHEMBL14691030 0.98 ITGB3 (0.50) ITGB3ITGA2BSLC6A2SLC6A4HRH1
SCHEMBL12735820 0.91 ITGB3 (0.57) ITGB3ITGA2BSLC6A2SLC6A4HRH1
SCHEMBL15281969 0.90 SLC6A2 (0.50) ITGB3ITGA2BSLC6A2SLC6A4HRH1
Trifluoroacetic Acid SCHEMBL4327966 0.88 ITGB3 (0.55) ITGB3ITGA2BTEAD1TEAD3
SCHEMBL7331063 0.88 HRH1 (0.60) ITGB3ITGA2BHRH1GBA1
SCHEMBL3356533 0.88 MAOB (0.53) ITGB3ITGA2BSLC6A2SLC6A4SLC6A3
SCHEMBL4980425 0.87 TEAD1 (0.56) TEAD1TEAD3NFE2L2
Hydrochloric Acid SCHEMBL7334941 0.86 MAOB (0.52) ITGB3ITGA2BSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7323876 0.86 HRH1 (0.58) ITGB3ITGA2BHRH1GBA1
SCHEMBL15651091 0.83 NFE2L2 (0.71) ITGB3ITGA2BSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867207-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS Eli Lilly and Company (US) 2015-05-06 EP disclosed
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
WO-2014004229-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2014-01-03 WO disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
EP-2607362-A1 Piperidine and piperazine carboxylates as FAAH inhibitors Astellas Pharma Inc. (JP) 2013-06-26 EP disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-6780868-B2 TREATMENT OF MYOCARDIAL OR PERIPHERAL ISCHAEMIA, CARDIAC INSUFFICIENCY OR PULMONARY ARTERIAL HYPERTENSION LES LABORATOIRES SERVIER (FR) 2004-08-24 US disclosed
US-20030229100-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-11 US disclosed
US-20030225105-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-12-04 US disclosed
US-20030191132-A1 New linear cyclic ureas PEGLION JEAN-LOUIS (FR) 2003-10-09 US disclosed
US-6566364-B2 Isomers, hydrates, solvates and addition salts in treatment of endothelial dysfunction disease such as atherosclerosis, dyslipidaemia; antidiabetic agents; heart transplantation; inhibition of nitrogen monoxide synthase and oxidative stress LES LABORATOIRES SERVIER (FR) 2003-05-20 US disclosed
EP-1266896-A1 Linear ou cyclic ureas, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-12-18 EP disclosed
US-6303593-B1 FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS MERCK & CO., INC. 2001-10-16 US disclosed
US-20010009911-A1 New linear or cyclic ureas LES LABORATOIRES SERVIER (FR) 2001-07-26 US disclosed
EP-1113014-A1 Linear or cyclic ureas, a process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-07-04 EP disclosed
WO-2000051608-A1 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-09-08 WO 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 (5 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-20010009911-A1 New linear or cyclic ureas GUCY1B1, UACA, LIPG ITGB3 2620/4885ITGA2B 2984/4885SLC6A2 2924/4885
US-20030191132-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 ITGB3 2969/4885ITGA2B 3008/4885SLC6A2 3299/4885
US-20030229100-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 ITGB3 2969/4885ITGA2B 3008/4885SLC6A2 3299/4885
US-20030225105-A1 New linear cyclic ureas GUCY1B1, UACA, GUCY1A1 ITGB3 2969/4885ITGA2B 3008/4885SLC6A2 3299/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 ITGB3 639/4885ITGA2B 694/4885SLC6A2 268/4885

“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.