SCHEMBL155000

SCHEMBL155000

[CH]1CN(Cc2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.65
MC4R P32245 1/20 0.54
DRD4 P21917 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
FUCA1 P04066 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ACHE P22303 1/20 0.50
CYP3A4 P08684 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CCR3 P51677 1/20 0.48

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
SCHEMBL1639608 0.85 SIGMAR1 (0.65) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2941482 0.85 SIGMAR1 (0.65) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL159371 0.82 SIGMAR1 (0.61) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL7373892 0.80 MC4R (0.70) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL8188324 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL576868 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL242970 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1415730 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL2489199 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB
SCHEMBL1041303 0.79 SIGMAR1 (1.00) SIGMAR1MC4RDRD4LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP claimed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 US claimed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US claimed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US claimed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 US claimed
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-02-18 US claimed
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US claimed
US-8642583-B2 Serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-02-04 US claimed
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
WO-2010059393-A1 SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 WO claimed
CN-100450483-C stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2009-01-14 CN claimed
CN-1436077-A stable pharmaceutical composition containing calcium blocker SANKYO CO (JP) 2003-08-13 CN claimed
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker SANKYO COMPANY, LIMITED (JP) 2003-04-17 US claimed
EP-1285655-A1 STABILIZED PHARMACEUTICAL COMPOSITIONS CONTAINING CALCIUM CHANNEL BLOCKERS Sankyo Company, Limited (JP) 2003-02-26 EP claimed
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 EP claimed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 US claimed
WO-2023141866-A1 PYRAZOLOPYRIMIDINES AS MODULATORS OF SPERMINE OXIDASE JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 WO disclosed
CN-116322692-A Autotaxin inhibitor compounds 日东制药株式会社 2023-06-23 CN disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 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 (7 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-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B SIGMAR1 231/4885MC4R 353/4885DRD4 1613/4885
US-20140038943-A1 SEROTONIN RECEPTOR MODULATOR HTR2C, HTR2A, HTR1A SIGMAR1 170/4885MC4R 101/4885DRD4 228/4885
US-20160046574-A1 SEROTONIN RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A SIGMAR1 173/4885MC4R 88/4885DRD4 228/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B SIGMAR1 231/4885MC4R 353/4885DRD4 1613/4885
US-20110207714-A1 SEROTONIN RECEPTOR MODULATORS HTR1A, HTR2A, HTR2C SIGMAR1 116/4885MC4R 127/4885DRD4 343/4885
US-20030073670-A1 Stabilized pharmaceutical compositions containing a calcium channel blocker CACNA1S, CACNA1C, CACNA1D SIGMAR1 743/4885MC4R 1843/4885DRD4 463/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B SIGMAR1 231/4885MC4R 353/4885DRD4 1613/4885

“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.