SCHEMBL3549148

SCHEMBL3549148

N#Cc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
KCNH2 Q12809 6/20 0.46
SCN5A Q14524 1/20 0.46
TOP2A P11388 8/20 0.43
TOP2B Q02880 6/20 0.43
TOP1 P11387 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL13341765 1.00 CYP3A4 (0.58) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL3549144 1.00 CYP3A4 (0.58) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL3551445 0.91 ALDH1A1 (0.57) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL3551443 0.91 ALDH1A1 (0.57) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL2080669 0.88 CYP3A4 (0.64) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL2080667 0.88 CYP3A4 (0.64) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL3556611 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL3556609 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL2670591 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1
SCHEMBL2670137 0.88 CYP3A4 (0.47) CYP3A4ALDH1A1POLBCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1669354-A1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 EP 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 (1 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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 CYP3A4 1439/4885ALDH1A1 2947/4885POLB 1682/4885

“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.