SCHEMBL12677482

SCHEMBL12677482

CC(C)(C)N1CCN(CCCN2CCOCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 2/20 0.49
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
MAPK1 P28482 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL10188202 0.94 ALDH1A1 (0.50) SMN1; SMN2KEAP1CYP2D6CYP1A2SIGMAR1
SCHEMBL21934600 0.87 HRH3 (0.36) SMN1; SMN2CYP2D6CYP1A2ALDH1A1MAPK1
SCHEMBL6658878 0.87 HRH3 (0.36) SMN1; SMN2CYP2D6CYP1A2ALDH1A1MAPK1
SCHEMBL6659624 0.83 HRH3 (0.42) SIGMAR1KCNH2HRH3PAOX
SCHEMBL9611073 0.82 ALOX15 (0.36) SMN1; SMN2ALDH1A1KDM4ECHRM2CHRM1
SCHEMBL6656278 0.82 ALOX15 (0.36) SMN1; SMN2ALDH1A1KDM4ECHRM2CHRM1
SCHEMBL12677485 0.81 HRH3 (0.48) SMN1; SMN2CYP1A2SIGMAR1ALDH1A1MAPK1
SCHEMBL6662182 0.81 HRH3 (0.46) KCNH2HRH3PAOX
SCHEMBL17282015 0.80 CYP2D6 (0.47) SMN1; SMN2KEAP1CYP2D6CYP1A2SIGMAR1
SCHEMBL1998867 0.80 KEAP1 (0.71) SMN1; SMN2KEAP1CYP2D6CYP1A2SIGMAR1

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-8273736-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
US-7737160-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES INC. (US) 2010-06-15 US disclosed
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBVIE INC. 2007-07-05 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 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 (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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 SMN1; SMN2 3910/4885KEAP1 1711/4885CYP2D6 19/4885
US-20100069371-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK SMN1; SMN2 4269/4885KEAP1 680/4885CYP2D6 1684/4885
US-20070155776-A1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABL1, ERBB2, LCK SMN1; SMN2 4269/4885KEAP1 680/4885CYP2D6 1684/4885

“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.