SCHEMBL642427

SCHEMBL642427

CC(=O)N1CCCC1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
DPP4 P27487 4/20 0.41
CHRM2 P08172 4/20 0.40
CHRM4 P08173 4/20 0.40
CHRM5 P08912 4/20 0.40
CHRM1 P11229 4/20 0.40
CHRM3 P20309 4/20 0.40
P2RX7 Q99572 1/20 0.38

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
SCHEMBL606217 1.00 F2 (0.44) F2DPP4CHRM2CHRM4CHRM5
SCHEMBL608859 1.00 F2 (0.44) F2DPP4CHRM2CHRM4CHRM5
SCHEMBL642472 0.94 CHRM2 (0.42) F2CHRM2CHRM4CHRM5CHRM1
SCHEMBL17327535 0.94 CHRM2 (0.42) F2CHRM2CHRM4CHRM5CHRM1
SCHEMBL641124 0.92 CHRM2 (0.44) F2CHRM2CHRM4CHRM5CHRM1
SCHEMBL4721124 0.87 SMN1; SMN2 (0.36) F2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14621092 0.84 F2 (0.42) F2CHRM2CHRM4CHRM5CHRM1
SCHEMBL21102001 0.84 DPP4 (0.39) F2DPP4
SCHEMBL13435754 0.84 DPP4 (0.39) DPP4
Benzoic Acid SCHEMBL9530741 0.83 DPP4 (0.53) F2DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
US-RE41339-E1 N-acetyl aldosamines, N-acetylamino acids and related N-acetyl compounds and their topical use TRISTRATA, INC. (US) 2010-05-18 US claimed
US-RE41278-E1 N-acetyl aldosamines and related N-acetyl compounds, and their topical use TRISTRATA, INC. 2010-04-27 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
EP-1660507-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2006-05-31 EP claimed
WO-2005021558-A2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2005-03-10 WO claimed
WO-2023238894-A1 ANTIVIRAL AGENT 国立大学法人東北大学 2023-12-14 WO disclosed
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2022-08-25 US disclosed
CN-104262227-B A method of preparing (S) -1- (2- chloracetyls) pyrrolidines -2- formonitrile HCNs 东北制药集团股份有限公司 2018-09-18 CN disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
EP-2931724-B1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA LP (US) 2017-01-25 EP disclosed
US-9403824-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2016-08-02 US disclosed
US-20060063827-A1 Systemic administration of therapeutic amino acids and N-acetylamino acids YU RUEY J 2006-03-23 US disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
EP-1363925-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2003-11-26 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2002050091-A1 MACROLIDE ANTIBIOTICS GLAXO GROUP LIMITED (GB) 2002-06-27 WO disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 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 (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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 F2 1027/4885DPP4 2807/4885CHRM2 4129/4885
US-20220267305-A1 MODULATORS OF ESTROGEN RECEPTOR PROTEOLYSIS AND ASSOCIATED METHODS OF USE ADRM1, MDM2, ESR2 F2 4506/4885DPP4 4046/4885CHRM2 2489/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 F2 4122/4885DPP4 3303/4885CHRM2 1058/4885

“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.