SCHEMBL490080

SCHEMBL490080

CNC(=O)[C@H]1CCCN1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 1/20 0.53
BCHE P06276 1/20 0.41
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
PDK2 Q15119 1/20 0.34
ACE P12821 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NR1I2 O75469 1/20 0.33
POLB P06746 1/20 0.33
MMP3 P08254 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
UBE2N P61088 1/20 0.33

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
SCHEMBL172515 1.00 CYP3A4 (0.53) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL9020148 1.00 CYP3A4 (0.53) CYP3A4CYP2D6BCHEWNT1GSK3B
Hydrochloric Acid SCHEMBL490045 0.98 CYP3A4 (0.51) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL12443460 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL9921656 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL26287093 0.94 CYP3A4 (0.47) CYP3A4CYP2D6BCHEWNT1GSK3B
SCHEMBL18800228 0.92 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KDM4E
SCHEMBL31734262 0.92 CYP3A4 (0.46) CYP3A4CYP2D6BCHEPARP1KDM4E
SCHEMBL15374826 0.87
SCHEMBL29865289 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194923-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2022-06-23 US disclosed
EP-3831823-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
WO-2020035464-A1 NOVEL SULFONAMIDEUREA COMPOUNDS INFLAZOME LIMITED (IE) 2020-02-20 WO disclosed
WO-2020025030-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION 上海轶诺药业有限公司 2020-02-06 WO disclosed
EP-2927214-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
EP-2408752-B1 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-08-12 EP disclosed
EP-2435411-B1 2,4-DIAMINOPYRIMIDINES FOR THE TREATMENT OF DISEASES CHARACTERISED BY EXCESSIVE OR ABNORMAL CELL PROLIFERATION BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
WO-2011039344-A1 PYRIMIDINE DERIVATIVES AS PROTEIN TYROSINE KINASE 2 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-07 WO disclosed
US-7595334-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2009-09-29 US disclosed
EP-2103619-A1 IMIDAZOTHIAZOLE DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-09-23 EP disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-7244752-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-17 US disclosed
US-7244752-B2 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-07-17 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 US disclosed
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication SURLERAUX DOMINIQUE LOUIS N G 2007-06-14 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 US disclosed
EP-1527051-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS Astrazeneca AB (SE) 2005-05-04 EP disclosed
WO-2004011443-A1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2004-02-05 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-20220194923-A1 NOVEL SULFONAMIDEUREA COMPOUNDS NLRP3, NOD1, NLRP1 CYP3A4 222/4885CYP2D6 394/4885BCHE 4328/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CYP3A4 2456/4885CYP2D6 1531/4885BCHE 2950/4885
US-20070135447-A1 N-(on SO2 ) (2-hydroxy-3-substituted aminopropyl)-substituted; inhibiting retroviral replication NR0B1, NR0B2, NR2C2 CYP3A4 371/4885CYP2D6 188/4885BCHE 4183/4885

“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.