Zolertine

Zolertine

SCHEMBL613372

[Cl-].[H+].c1ccc(N2CCN(CCc3nn[nH]n3)CC2)cc1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Zolertine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
HTR1A P08908 1/20 0.54
KCNH2 Q12809 2/20 0.49
SIGMAR1 Q99720 3/20 0.48
TSHR P16473 1/20 0.47
HPGDS O60760 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
Zolertine SCHEMBL29609163 0.97 DRD2 (0.56) DRD2HTR1AKCNH2SIGMAR1TSHR
Zolertine SCHEMBL613371 0.73 DRD2 (0.58) DRD2HTR1AKCNH2SIGMAR1CYP2D6
Zolertine SCHEMBL611670 0.72 DRD2 (0.56) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL9041083 0.72 KCNH2 (0.80) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL6509439 0.71 DRD2 (1.00) DRD2HTR1AKCNH2SIGMAR1MAPT
SCHEMBL5988317 0.69 KCNH2 (0.88) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL4528457 0.67 KCNH2 (1.00) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL30230343 0.66 SIGMAR1 (0.68) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL11170223 0.66 DRD2 (0.55) DRD2HTR1AKCNH2SIGMAR1CYP2D6
SCHEMBL11751661 0.66 KCNH2 (0.69) DRD2HTR1AKCNH2SIGMAR1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3004138-B1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LTD (IE) 2024-03-13 EP disclosed
EP-4309673-A2 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE Bausch Health Ireland Limited (IE) 2024-01-24 EP disclosed
US-20240002440-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS JPMORGAN CHASE BANK, N.A. 2024-01-04 US disclosed
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2023-12-05 US disclosed
US-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2023-10-26 US disclosed
EP-3708179-B1 FORMULATIONS OF GUANYLATE CYCLASE C AGONISTS AND METHODS OF USE BAUSCH HEALTH IRELAND LTD (IE) 2023-10-04 EP disclosed
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2022-05-03 US disclosed
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME BAUSCH HEALTH IRELAND LIMITED (IE) 2022-04-21 US disclosed
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME JPMORGAN CHASE BANK, N.A. 2021-12-30 US disclosed
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same BAUSCH HEALTH IRELAND LIMITED (IE) 2021-10-12 US disclosed
WO-2006122186-A2 1,4-DIPHENYL-3-HYDROXYALKYL-2-AZETIDINONE DERIVATIVES FOR TREATING HYPERCHOLESTROLEMIA MICROBIA, INC. (US) 2006-11-16 WO disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 WO disclosed
WO-2006102069-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-09-28 WO disclosed
WO-2006086653-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS MICROBIA, INC. (US) 2006-08-17 WO disclosed
EP-1541175-A2 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions Schering Corporation (US) 2005-06-15 EP disclosed
CN-1582168-A Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions SCHERING CORP (US) 2005-02-16 CN disclosed
EP-1385548-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS Schering Corporation (US) 2004-02-04 EP disclosed
US-20030069221-A1 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions SCHERING CORPORATION 2003-04-10 US disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 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-20230340023-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885
US-20210403508-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885
US-11142549-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885
US-20030069221-A1 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions CYP46A1, FABP2, SREBF1 DRD2 4644/4885HTR1A 3906/4885KCNH2 4237/4885
US-20220119449-A1 ULTRA-PURE AGONISTS OF GUANYLATE CYCLASE C, METHOD OF MAKING AND USING SAME GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885
US-11319346-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885
US-11834521-B2 Ultra-pure agonists of guanylate cyclase C, method of making and using same GUCY1A1, GUCY1A2, GUCY1B1 DRD2 1096/4885HTR1A 649/4885KCNH2 553/4885

“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.