SCHEMBL1711070

SCHEMBL1711070

c1ccc(CCCN2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 1.00
POLB P06746 1/20 1.00
HTT P42858 1/20 0.70
KMT2A Q03164 1/20 0.70
LTA4H P09960 1/20 0.62
CCR3 P51677 1/20 0.59

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
SCHEMBL4425957 0.95 SIGMAR1 (0.90) SIGMAR1POLBHTTKMT2ACCR3
SCHEMBL20797123 0.90 SIGMAR1 (0.81) SIGMAR1POLBHTTKMT2ALTA4H
Sulfurous Acid SCHEMBL28001231 0.89 SIGMAR1 (0.79) SIGMAR1POLBHTTKMT2ALTA4H
SCHEMBL78043 0.89 SIGMAR1 (0.79) SIGMAR1POLBHTTKMT2ACCR3
SCHEMBL9539677 0.89 SIGMAR1 (0.79) SIGMAR1POLBHTTKMT2ACCR3
SCHEMBL2962629 0.86 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3
SCHEMBL6550825 0.86 SIGMAR1 (1.00) SIGMAR1POLBLTA4HCCR3
SCHEMBL29642998 0.86 SIGMAR1 (0.74) SIGMAR1POLBHTTKMT2ALTA4H
Ethylene SCHEMBL28207535 0.85 SIGMAR1 (0.74) SIGMAR1POLBHTTKMT2ACCR3
SCHEMBL28306965 0.85 SIGMAR1 (0.72) SIGMAR1POLBHTTKMT2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507863-A4 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF 1993-07-07 EP claimed
EP-0507863-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1992-10-14 EP claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
EP-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 WO disclosed
CN-109232458-A A kind of preparation method of chirality morpholinium compound 南通常佑药业科技有限公司 2019-01-18 CN disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-8268873-B2 Use of 1-Cyanobutan-2-yl-1-[3-[3-[3-methoxy-4-(oxazol-5-yl)phenyl]ureido]phenyl] ethylcarbamate, AVN 944, VX-944 VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
EP-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 EP disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
US-6946279-B2 THROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, ANHYDROTHROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, PLATELET AGGLUTINATION-INDUCING COMPOSITIONS, METHOD OF INDUCING PLATELET AGGLUTINATION, CLINICAL TEST REAGENTS, CLINICAL TEST METHOD, THROMBOSIS INHIBITORS, ADSORBENT AND PROCESS FOR PRODUCING THE SAME FUJIMORI KOGYO CO., LTD. (JP) 2005-09-20 US disclosed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO disclosed
US-20040096953-A1 Thrombin derivatives and process for producing the same, anhydrothrombin derivatives and process for producing the same, platelet agglutination-inducing composition, method of inducing platelet agglutination, clinical test reagents, clinical test method, thrombosis inhibitors, adsorbent and process for producing the same, JNC CORPORATION (JP) 2004-05-20 US disclosed
EP-1371663-A1 THROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, ANHYDROTHROMBIN DERIVATIVES AND PROCESS FOR PRODUCING THE SAME, PLATELET AGGLUTINATION-INDUCING COMPOSITIONS, METHOD OF INDUCING PLATELET AGGLUTINATION, CLINICAL TEST REAGENTS, CLINICAL TEST METHOD, THROMBOSIS INHIBITORS, ADSORBENT AND PROCESS FUJIMORI KOGYO CO., LTD. (JP) 2003-12-17 EP disclosed
EP-1265844-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS Bayer Aktiengesellschaft (DE) 2002-12-18 EP disclosed
WO-2001064621-A1 METHOD FOR PRODUCING AMINES BY THE HYDROAMINOMETHYLATION OF OLEFINS IN THE PRESENCE OF IONIC LIQUIDS BAYER AKTIENGESELLSCHAFT (DE) 2001-09-07 WO disclosed
EP-0008686-B1 SYNTHESIS OF PHENYL-PROPYL MORPHOLINE AND PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-04-20 EP disclosed
EP-0009077-B1 SUBSTITUTED PHENYLPROPYL HALIDES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1981-09-30 EP disclosed
EP-0008686-A2 Synthesis of phenyl-propyl morpholine and piperidine derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-03-19 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 (3 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-20040096953-A1 Thrombin derivatives and process for producing the same, anhydrothrombin derivatives and process for producing the same, platelet agglutination-inducing composition, method of inducing platelet agglutination, clinical test reagents, clinical test method, thrombosis inhibitors, adsorbent and process for producing the same, FGB, F2, TFPI SIGMAR1 4882/4885POLB 4250/4885HTT 3512/4885
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 SIGMAR1 143/4885POLB 4518/4885HTT 1374/4885
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 SIGMAR1 143/4885POLB 4518/4885HTT 1374/4885

“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.