SCHEMBL1787224

SCHEMBL1787224

Clc1ccc2c(c1)CC1(CCNCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.43
HTR2B P41595 1/20 0.43
CCR1 P32246 9/20 0.39
KCNH2 Q12809 4/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
PNMT P11086 1/20 0.38

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
SCHEMBL30172181 1.00 HTR2C (0.49) HTR2CDRD2HTR2AHTR2BCCR1
Hydrochloric Acid SCHEMBL10502464 0.98 HTR2C (0.48) HTR2CDRD2HTR2AHTR2BCCR1
SCHEMBL31059137 0.91 HTR2C (0.45) HTR2CDRD2HTR2AHTR2BCCR1
SCHEMBL4222971 0.91 HTR2C (0.45) HTR2CDRD2HTR2AHTR2BCCR1
SCHEMBL4220742 0.87 HTR2C (0.49) HTR2CDRD2HTR2AHTR2BMAPT
SCHEMBL864191 0.87 HTR2C (0.49) HTR2CDRD2HTR2AHTR2BMAPT
Hydrochloric Acid SCHEMBL4221293 0.86 HTR2C (0.48) HTR2CDRD2HTR2AHTR2BMAPT
Hydrochloric Acid SCHEMBL11241821 0.86 HTR2C (0.48) HTR2CDRD2HTR2AHTR2BMAPT
SCHEMBL13910961 0.85 DRD2 (0.47) DRD2CCR1KCNH2
SCHEMBL863813 0.82 HTR2C (0.50) HTR2CDRD2HTR2AHTR2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-05-26 US disclosed
WO-2010007408-A2 INTERMEDIATES 2-(2-CHLORO-5-HYDROXY-4-METHYLCARBAMOYLPHENOXY)-2-METHYLPROPIONIC ACID TERT-BUTYL ESTER AND GLYCIDYL BENZENE SULFONATES OR SALTS THEREOF AND THE PROCESS FOR PREPARATION OF SAID INTERMEDIATES ASTRAZENECA AB (SE) 2010-01-21 WO disclosed
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity HOSSAIN NAFIZAL 2009-12-03 US disclosed
EP-2120935-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ASTRAZENECA AB (SE) 2009-07-09 US disclosed
EP-2069355-A1 NOVEL TRICYCLIC SPIROPIPERIDINE COMPOUNDS, THEIR SYNTHESIS AND THEIR USES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2009-06-17 EP disclosed
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines ASTRAZENECA AB (SE) 2005-11-03 US disclosed
WO-2005061499-A1 NOVEL TRICYCLIC SPIRODERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-2005054249-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-16 WO disclosed
WO-2005049620-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-06-02 WO disclosed
EP-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed
US-4420485-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-12-13 US disclosed
EP-0004951-B1 N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES HOECHST AKTIENGESELLSCHAFT (DE) 1982-01-13 EP disclosed
EP-0004951-A1 N-(3-benzoylpropyl)-spiro-(dihydrobenzofuranpiperidines and -pyrrolidines), derivatives thereof, methods for their preparation and their use for medicines HOECHST AKTIENGESELLSCHAFT (DE) 1979-10-31 EP disclosed
US-4166120-A Analgesic and tranquilizing benzoylpropyl-spiro[dihydrobenzofuran]piperidines and pyrrolidines AMERICAN HOECHST CORPORATION (US) 1979-08-28 US 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-20110124613-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma GRK5, ADRB2, GRK2 HTR2C 1320/4885DRD2 2276/4885HTR2A 1548/4885
US-20050245741-A1 Novel tricyclic spiropiperidines or spiropyrrolidines REN, TACR1, AGTR1 HTR2C 1811/4885DRD2 22/4885HTR2A 1145/4885
US-20090176815-A1 Novel Tricyclic Spiropiperidine Compounds, Their Synthesis and Their Uses as Modulators of Chemokine Receptor Activity ACKR3, CCR2, CCR5 HTR2C 1074/4885DRD2 280/4885HTR2A 959/4885
US-20090298861-A1 Novel tricyclic spiroderivatives as modulators of chemokine receptor activity CXCR1, CXCR2, CXCR4 HTR2C 1980/4885DRD2 606/4885HTR2A 1584/4885

“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.