SCHEMBL2737876

SCHEMBL2737876

CC(=O)[C@@H]1CCCCN1C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CNR2 P34972 1/20 0.38
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8283032 1.00 CYP3A4 (0.40) CYP3A4CYP2D6CNR2HTTCYP1A2
SCHEMBL761869 1.00 CYP3A4 (0.40) CYP3A4CYP2D6CNR2HTTCYP1A2
SCHEMBL21515942 0.98 HTT (0.39) CYP3A4CYP2D6CNR2HTTCYP1A2
SCHEMBL890138 0.93
SCHEMBL412333 0.93
SCHEMBL8291028 0.93
SCHEMBL28845774 0.84 CYP3A4 (0.41) CYP3A4CYP2D6CNR2CYP1A2CA12
SCHEMBL7800989 0.83
SCHEMBL8291026 0.83
SCHEMBL58093 0.82 ACE (0.42) CYP3A4CYP2D6CNR2HTTALDH1A1

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
US-20250296943-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS SYNTHOS DWORY 7 SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (PL) 2025-09-25 US disclosed
EP-4441057-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS Trinseo Europe GmbH (CH) 2024-10-09 EP disclosed
CN-118339169-A Amine-containing vinyldisiloxane in elastomeric polymer manufacture 盛禧奥欧洲有限责任公司 2024-07-12 CN disclosed
WO-2023122228-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-06-29 WO disclosed
WO-2023099462-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS TRINSEO EUROPE GMBH (CH) 2023-06-08 WO disclosed
EP-4186911-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS Trinseo Europe GmbH (CH) 2023-05-31 EP disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
WO-2022079428-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed
WO-2022079426-A1 CYCLIC APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2022-04-21 WO disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES PROVID PHARMACEUTICALS, INC. 2009-04-30 US disclosed
US-7439231-B2 Inhibitors of antigen presentation by MHC class II molecules and methods of use thereof PROVID PHARMACEUTICALS, INC. (US) 2008-10-21 US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007067537-A1 PYRROLOPYRIDINE KINASE INHIBITING COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2007-06-14 WO disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds OSI PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 US disclosed
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors G.D. SEARLE & CO. (US) 2007-01-04 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 (8 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 CYP3A4 609/4885CYP2D6 2291/4885CNR2 2543/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 CYP3A4 47/4885CYP2D6 191/4885CNR2 1021/4885
US-20070004646-A1 Heterocyclecarbonyl amino acid hydroxyethylamino sulfonamide retroviral protease inhibitors DNPEP, PREP, ANPEP CYP3A4 1898/4885CYP2D6 3171/4885CNR2 4520/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR CYP3A4 826/4885CYP2D6 194/4885CNR2 2199/4885
US-20250296943-A1 AMINE-CONTAINING VINYLDISILOXANES IN THE MANUFACTURE OF ELASTOMERIC POLYMERS VARS1, VCL, TYK2 CYP3A4 2329/4885CYP2D6 3487/4885CNR2 2363/4885
US-20090111755-A1 METHODS FOR THE USE OF INHIBITORS OF ANTIGEN PRESENTATION BY MHC CLASS II MOLECULES HLA-DRB1, CD74, MICA CYP3A4 4591/4885CYP2D6 2904/4885CNR2 3194/4885
US-20070129364-A1 Pyrrolopyridine kinase inhibiting compounds BMX, ERBB2, FRK CYP3A4 4570/4885CYP2D6 4555/4885CNR2 2809/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 CYP3A4 1756/4885CYP2D6 933/4885CNR2 4669/4885

“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.