SCHEMBL330398

SCHEMBL330398

COc1ccc2c(c1)CNC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
RYR2 Q92736 1/20 0.54
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
DRD2 P14416 2/20 0.47
DRD3 P35462 2/20 0.47
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
METAP1 P53582 2/20 0.46
BCL2 P10415 1/20 0.46
CHRNA7 P36544 2/20 0.44
CD274 Q9NZQ7 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL31463242 1.00 KCNH2 (0.54) KCNH2RYR2PDE3BPDE3ADRD2
Hydrochloric Acid SCHEMBL29627951 0.98 KCNH2 (0.53) KCNH2RYR2PDE3BPDE3ADRD2
Hydrochloric Acid SCHEMBL3126387 0.98 KCNH2 (0.53) KCNH2RYR2PDE3BPDE3ADRD2
Hydrochloric Acid SCHEMBL16637691 0.96 KCNH2 (0.51) KCNH2RYR2PDE3BPDE3ADRD2
SCHEMBL30777884 0.85 KCNH2 (0.53) KCNH2RYR2PDE3BPDE3ADRD2
SCHEMBL26776838 0.85 KCNH2 (0.53) KCNH2RYR2PDE3BPDE3ADRD2
SCHEMBL31070657 0.84 CHRNB2 (0.48) KCNH2RYR2CD274CHRNB2CHRNA4
SCHEMBL8467911 0.84 CD274 (0.59) KCNH2RYR2DRD2DRD3DRD1
SCHEMBL746109 0.84 HTR2C (0.57) KCNH2RYR2DRD2DRD3HTR2C
SCHEMBL532484 0.84 CD274 (0.59) KCNH2RYR2DRD2DRD3DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-20 US claimed
EP-4003340-A2 ETHYNYLHETEROCYCLES AS RHO-ASSOCIATED COILED-COIL KINASE (ROCK) INHIBITORS Angion Biomedica Corp. (US) 2022-06-01 EP claimed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
US-20260034127-A1 TREATMENT OF GVHD KADMON CORP LLC (FR) 2026-02-05 US disclosed
EP-4674852-A1 PREPARATION METHOD FOR AND USE OF DIHYDROTHIENOPYRIMIDINE DERIVATIVE Innovstone Therapeutics Limited (CN) 2026-01-07 EP disclosed
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS SERVIER LAB (FR) 2026-01-01 US disclosed
EP-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 EP disclosed
EP-4536643-A1 BENZOPYRIMIDIN-4(3H)-ONES AS PI3K INHIBITORS OnKure, Inc. (US) 2025-04-16 EP disclosed
CN-119816491-A New spirocyclohexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2025-04-11 CN disclosed
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-03 US disclosed
US-6521638-B1 Such as 2-(2-(1-(4-(3-(3-methanesulfonyl)phenylpropenoyl)-amino)cyclohexyl)ethyl) -2,3-dihydro-1H-isoindole; amidation of amine and carbonyl halide SMITHKLINE BEECHAM P.L.C. (DE) 2003-02-18 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP disclosed
EP-1119562-A1 2,3-DIHYDRO-1H-ISOINDOLE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM PLC (GB) 2001-08-01 EP disclosed
WO-2000021950-A1 2,3-DIHYDRO-1H-ISOINDOLE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE D3 RECEPTORS (ANTIPSYCHOTIC AGENTS) SMITHKLINE BEECHAM P.L.C. (GB) 2000-04-20 WO disclosed
US-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 US disclosed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP disclosed
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP 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 (5 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-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 KCNH2 1582/4885RYR2 3385/4885PDE3B 3004/4885
US-20260034127-A1 TREATMENT OF GVHD ROCK2, RHOA, MYH2 KCNH2 1359/4885RYR2 1722/4885PDE3B 140/4885
US-20260001846-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BCL2A1, BAX KCNH2 3343/4885RYR2 1172/4885PDE3B 2635/4885
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS KCNH2 3103/4885RYR2 1921/4885PDE3B 585/4885
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS KCNH2 2916/4885RYR2 2941/4885PDE3B 371/4885

“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.