SCHEMBL1171606

SCHEMBL1171606

O=CC1=C(Cl)CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.53
DRD4 P21917 4/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
MC4R P32245 1/20 0.46
ACHE P22303 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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 SCHEMBL7400565 0.98 SIGMAR1 (0.52) SIGMAR1DRD4DRD2DRD3MC4R
SCHEMBL11178147 0.83 SIGMAR1 (0.54) SIGMAR1DRD4DRD3LMNAALDH1A1
Hydrochloric Acid SCHEMBL10974461 0.82 SIGMAR1 (0.53) SIGMAR1DRD4DRD3LMNAALDH1A1
SCHEMBL7397925 0.80 SIGMAR1 (0.49) SIGMAR1MC4RACHE
SCHEMBL1171230 0.80 SIGMAR1 (0.49) SIGMAR1MC4RACHE
Hydrochloric Acid SCHEMBL11173866 0.79 SIGMAR1 (0.43) SIGMAR1DRD4DRD2DRD3ACHE
SCHEMBL15329851 0.78 ACHE (0.47) SIGMAR1ACHEALDH1A1
SCHEMBL13264469 0.75 ERN1 (0.47) SIGMAR1DRD4DRD2DRD3ACHE
SCHEMBL17485212 0.74 SLC6A5 (0.46) SIGMAR1DRD4DRD2DRD3ACHE
SCHEMBL28543867 0.73 SIGMAR1 (0.57) SIGMAR1DRD4DRD2DRD3MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
EP-2788086-B1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-10-12 EP disclosed
EP-2788333-B1 1,2,4-TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INT (DE) 2016-03-23 EP disclosed
EP-2788086-A1 SUBSTITUTED PYRAZOLES AS MGLU5 RECEPTOR MODULATORS Boehringer Ingelheim International GmbH (DE) 2014-10-15 EP disclosed
EP-2788333-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA Boehringer Ingelheim International GmbH (DE) 2014-10-15 EP disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-8741892-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-8642774-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-04 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-7888347-B2 e.g. 1-(Phenylmethyl)hexahydro-4H-azepin-4-one hydrochloride; neurological and psychiatric disorders; neurodegenerative diseases, cognitive impairments, antiinflammatory agent; Alzheimer's disease, epilepsy, neuritis and back pain, osteoarthritis, rheumatoid arthritis, migraine, Parkinson's disease GLAXO GROUP LIMITED (GB) 2011-02-15 US disclosed
EP-1899350-B1 PYRAZOLO [3 , 4-D]AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2010-05-12 EP disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
US-20080176832-A1 Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
EP-1899350-A1 PYRAZOLO Ý3 , 4-D¨AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-03-19 EP disclosed
WO-2007025596-A1 PYRAZOLO [3 , 4-D] AZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-08 WO disclosed
EP-0058341-B1 AZEPINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-05-15 EP disclosed
US-4414225-A Azepine derivatives and their anti-thrombotic compositions and methods DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-11-08 US disclosed
EP-0058341-A1 Azepine derivatives, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-08-25 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 (1 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-20080176832-A1 Pyrazolo [3,4-D]Azepine Derivatives as Histamine H3 Antagonists HRH3, HRH4, HRH2 SIGMAR1 283/4885DRD4 131/4885DRD2 60/4885

“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.