SCHEMBL2589907

SCHEMBL2589907

c1ccc2c(c1)CNCCS2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 5/20 1.00
KCNH2 Q12809 1/20 0.53
PNMT P11086 2/20 0.48
CD44 P16070 2/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
OXTR P30559 1/20 0.39
HTR2C P28335 2/20 0.38
PRCP P42785 1/20 0.33

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 SCHEMBL5849939 0.98 RYR2 (0.96) RYR2KCNH2PNMTCD44MAOB
SCHEMBL4503710 0.88 RYR2 (0.79) RYR2KCNH2PNMTCD44MAOB
SCHEMBL7200641 0.80 RYR2 (0.65) RYR2KCNH2MEN1ALDH1A1GAA
SCHEMBL1319961 0.78 RYR2 (0.64) RYR2KCNH2PNMTCD44MAOB
SCHEMBL4502096 0.78 RYR2 (0.64) RYR2KCNH2PNMTCD44MAOB
SCHEMBL30509704 0.78 RYR2 (0.64) RYR2KCNH2PNMTCD44MAOB
SCHEMBL14692217 0.77 RYR2 (0.58) RYR2KCNH2PNMTCD44MAOB
Piperazine SCHEMBL28173098 0.75 RYR2 (0.60) RYR2KCNH2PNMTCD44MAOB
SCHEMBL2062318 0.73 RYR2 (0.59) RYR2KCNH2PNMTCD44MAOB
SCHEMBL14692082 0.73 RYR2 (0.58) RYR2KCNH2PNMTHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116422109-A Self-extraction layered carbon dioxide trapping system and method 嘉兴市碳捕手科技有限责任公司 2023-07-14 CN claimed
US-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2014-05-01 US claimed
US-8618282-B2 Process for preparing benzothiazepines from gamma-aminoalkylbenzenes LES LABORATOIRES SERVIER (FR) 2013-12-31 US claimed
EP-2250159-B1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA INC (US) 2011-12-07 EP claimed
EP-2250159-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES Armgo Pharma, Inc. (US) 2010-11-17 EP claimed
US-20100152440-A1 NOVEL ANTI-ARRHYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RyR2) MARKS ANDREW ROBERT 2010-06-17 US claimed
US-20100143322-A1 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD., C/O THE B-NET (GB) 2010-06-10 US claimed
EP-2127654-A1 Benzothiazepine derivatives as ryanodine receptor (RYR2) inhibitors and their use in the treatment of cardiac diseases The Trustees of Columbia University in the City of New York (US) 2009-12-02 EP claimed
WO-2009111463-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES ARMGO PHARMA, INC. (US) 2009-09-11 WO claimed
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES RYCARMA THERAPEUTICS, INC. 2009-09-10 US claimed
EP-1861385-A1 NOVEL ANTI-ARRYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RYR2) The Trustees of Columbia University in the City of New York (US) 2007-12-05 EP claimed
WO-2006101496-A1 NOVEL ANTI-ARRYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RYR2) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2006-09-28 WO claimed
US-20050187386-A1 Novel anti-arrythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2005-08-25 US claimed
JP-59104371-A None JP disclosed
JP-10045706-A None JP disclosed
JP-63162681-A None JP disclosed
US-4238607-A ANTIBIOTICS, SEDATIVES, HYPOTENSIVE AGENTS, AND ANTIDEPRESSANTS ENDO LABORATORIES INC. (US) 1980-12-09 US disclosed
US-4183936-A SEDATIVES, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, BACTERICIDES ENDO LABORATORIES, INC. (US) 1980-01-15 US disclosed
US-4115577-A SEDATIVES, ANTIDEPRESSANT ANTIHYPERTENSIVE, ANTIBACTERIAL ENDO LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4013652-A SEDATIVES ENDO LABORATORIES, INC. (US) 1977-03-22 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-20140121368-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, GABRA4 RYR2 564/4885KCNH2 108/4885PNMT 71/4885
US-20090227788-A1 PROCESS FOR PREPARING BENZOTHIAZEPINES FROM GAMMA-AMINOALKYLBENZENES TPMT, SULT2A1, KCNJ2 RYR2 547/4885KCNH2 103/4885PNMT 74/4885
US-20050187386-A1 Novel anti-arrythmic and heart failure drugs that target the leak in the ryanodine receptor (RyR2) RYR2, RYR1, ATP2A3 RYR2 1/4885KCNH2 190/4885PNMT 4072/4885
US-20100152440-A1 NOVEL ANTI-ARRHYTHMIC AND HEART FAILURE DRUGS THAT TARGET THE LEAK IN THE RYANODINE RECEPTOR (RyR2) RYR2, RYR1, FABP3 RYR2 1/4885KCNH2 227/4885PNMT 4153/4885

“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.