SCHEMBL3979376

SCHEMBL3979376

C[C@@H]1CCCCN1CCCN

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.51
ALDH1A1 P00352 1/20 0.45
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
HRH3 Q9Y5N1 6/20 0.43
MAOB P27338 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL448349 1.00 CXCR4 (0.51) CXCR4ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL1879610 1.00 CXCR4 (0.51) CXCR4ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL26576209 0.94 CXCR4 (0.50) CXCR4ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL292419 0.94 HRH3 (0.46) CXCR4HRH3
SCHEMBL292420 0.94 HRH3 (0.46) CXCR4HRH3
SCHEMBL8424204 0.90 CXCR4 (0.44) CXCR4ALDH1A1SCN1ASCN2ASCN3A
SCHEMBL3323166 0.88 ALDH1A1 (0.47) CXCR4ALDH1A1HRH3
SCHEMBL17148079 0.88 ALDH1A1 (0.47) CXCR4ALDH1A1HRH3
SCHEMBL17142377 0.88 ALDH1A1 (0.47) CXCR4ALDH1A1HRH3
SCHEMBL23828669 0.87 CXCR4 (0.57) CXCR4ALDH1A1SCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
CN-101054379-A Pyrrole substituted pyrimidinone derivative, preparation method and use thereof in medicine SHANGHAI HENGRUI MEDICINE CO L (CN) 2007-10-17 CN disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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 (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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CXCR4 4161/4885ALDH1A1 3463/4885SCN1A 4216/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP CXCR4 4161/4885ALDH1A1 3463/4885SCN1A 4216/4885

“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.