SCHEMBL3764570

SCHEMBL3764570

CN1CCCC1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.54
CHRNB2 P17787 1/20 0.51
CHRNA5 P30532 1/20 0.51
CHRNA7 P36544 1/20 0.51
CHRNA4 P43681 1/20 0.51

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
SCHEMBL16488227 1.00 HTR6 (0.54) HTR6CHRNB2CHRNA5CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL28216900 0.98 HTR6 (0.55) HTR6CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL2606119 0.95 ADRA2A (0.53) HTR6
SCHEMBL11470450 0.93 ADRA2A (0.51) HTR6
Ammonia Solution, Strong SCHEMBL3645001 0.93 ADRA2A (0.51) HTR6
SCHEMBL25645586 0.93 ADRA2A (0.51) HTR6
Ammonia Solution, Strong SCHEMBL29771408 0.87 HTR1D (0.49) HTR6
SCHEMBL13162975 0.84 HTR1D (0.52) HTR6CHRNB2CHRNA4
Styrene SCHEMBL28422467 0.83 HTR6 (0.44) HTR6CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL2691261 0.82 SLC18A2 (0.70)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2021-04-01 US disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
WO-2019183245-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-09-26 WO disclosed
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-9212187-B2 Nitrogen-containing compounds and pharmaceutical compositions thereof for the treatment of atrial fibrillation OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-15 US disclosed
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-11-20 US disclosed
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARCACEUTICAL CO LTD (JP) 2014-11-20 US disclosed
WO-2008116958-A1 METHOD FOR PREPARATION OF AN ALUMINOSILICATE WITH FERRIERITE STRUCTURE FROM GELS CONTAINING TETRAMETHYL AMMONIUM AND BENZYLMETHYLPYRROLIDINE, AND USES THEREOF CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2008-10-02 WO disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2008-09-18 US disclosed
US-7402579-B2 Quinobenzoxazine analogs and compositions CYLENE PHARMACEUTICALS, INC. (US) 2008-07-22 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
US-7375222-B2 2,4,6-Triamino-1,3,5-triazine derivative ASTELLAS PHARMA INC. (JP) 2008-05-20 US disclosed
EP-1874731-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF Cylene Pharmaceuticals, Inc. (US) 2008-01-09 EP disclosed
US-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYLENE PHARMACEUTICALS, INC. 2006-11-23 US disclosed
WO-2006113509-A2 QUINOBENZOXAZINE ANALOGS AND METHODS OF USING THEREOF CYLENE PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
US-4279918-A ANTIDEPRESSANTS, STIMULANTS BYK GULDEN LOMBERG CHEMISCHE FABRIK G.M.B.H. (DE) 1981-07-21 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 (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-20060264634-A1 Quinobenzoxazine analogs and methods of using thereof CYP2W1, NQO2, UGT2B7 HTR6 1977/4885CHRNB2 1408/4885CHRNA5 1002/4885
US-20140343277-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 HTR6 1505/4885CHRNB2 157/4885CHRNA5 60/4885
US-20140343278-A1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION KCNH2, KCNH1, KCNH3 HTR6 1505/4885CHRNB2 157/4885CHRNA5 60/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA HTR6 119/4885CHRNB2 223/4885CHRNA5 121/4885
US-20080227785-A1 2,4,6-TRIAMINO-1,3,5-TRIAZINE DERIVATIVE KCNT1, KCNMA1, KCNJ2 HTR6 1881/4885CHRNB2 849/4885CHRNA5 248/4885
US-20210094950-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, CSNK1E, CSNK1G3 HTR6 1086/4885CHRNB2 658/4885CHRNA5 852/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA HTR6 119/4885CHRNB2 223/4885CHRNA5 121/4885

“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.