SCHEMBL1749542

SCHEMBL1749542

NC1CCC(NC=O)CC1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.74
ADH1A P07327 4/20 0.74
ADH1C P00326 3/20 0.59
ADH7 P40394 2/20 0.59
ADH4 P08319 1/20 0.56
SMYD3 Q9H7B4 3/20 0.32
ROCK2 O75116 1/20 0.30

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
SCHEMBL6944271 1.00 ADH1B (0.74) ADH1BADH1AADH1CADH7ADH4
SCHEMBL12210420 0.87 ADH1B (0.56) ADH1BADH1AADH1CADH7ADH4
SCHEMBL19658308 0.86 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL115609 0.86
SCHEMBL21997344 0.86 ADH1B (1.00) ADH1BADH1AADH1CADH7ADH4
SCHEMBL16437032 0.85
Cyclohexylformamide SCHEMBL28502556 0.83 ADH1B (0.77) ADH1BADH1AADH1CADH7ADH4
Hydrochloric Acid SCHEMBL4095046 0.83
Hydrochloric Acid SCHEMBL9205102 0.83
SCHEMBL21088347 0.80 ADH1B (0.88) ADH1BADH1AADH1CADH7ADH4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP claimed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 US claimed
EP-1713806-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-10-25 EP claimed
WO-2005107760-A1 COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION IRM LLC (BM) 2005-11-17 WO claimed
WO-2005080393-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-09-01 WO claimed
WO-2022218379-A1 SMALL-MOLECULE COMPOUND HAVING SUBSTITUTED PHENYL SPIRO[INDOLINE-3,3'-PYRROLIDINE] STRUCTURE 中国科学院上海药物研究所 2022-10-20 WO disclosed
CN-109069512-A Substituted aminopurine compounds, compositions thereof, and related methods of treatment 西格诺药品有限公司 2018-12-21 CN disclosed
EP-1713806-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-05-08 EP disclosed
US-7968557-B2 Diseases with abnormal activation of the Abl, BCR-Abl, Bmx, CSK, TrkB, FGFR3, Fes, Lck, B-RAF, C-RAF, MKK6, alpha and beta SAPK2 kinases; antiproliferative; pyrrolo[2,3-d]pyrimidine-7-carboxylic acid [3-phenylcarbamoyl-phenyl]-amides and pyrrolo[3,2-c]pyridine analogs NOVARTIS AG (CH) 2011-06-28 US disclosed
EP-1227805-B2 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2011-02-23 EP disclosed
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2007-09-27 US disclosed
EP-1713806-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005107760-A1 COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION IRM LLC (BM) 2005-11-17 WO disclosed
WO-2005080393-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-09-01 WO disclosed
CN-1535272-A Nitrogen-containing bicyclic heterocycles ʷ 2004-10-06 CN disclosed
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-12-19 US disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 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 (2 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-20020193614-A1 Anthranilic acid derivatives as inhibitors of the CGMP-phosphodiesterase PDE3A, PDE2A, PDE5A ADH1B 633/4885ADH1A 221/4885ADH1C 276/4885
US-20070225306-A1 Compounds and Compositions as Protein Kinase Inhibitors ABL1, PDGFRA, PDGFRB ADH1B 4876/4885ADH1A 4869/4885ADH1C 4650/4885

“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.