SCHEMBL15857656

SCHEMBL15857656

O=CNCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.69
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
ABCB11 O95342 1/20 0.60
F2 P00734 1/20 0.60
ST14 Q9Y5Y6 1/20 0.60
CYP2J2 P51589 1/20 0.53

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
SCHEMBL15846529 1.00 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21278418 0.87 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18155440 0.86 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838785 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15120924 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13575721 0.86 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806187 0.84 F10 (0.74) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2196287 0.83 F10 (0.67) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2196290 0.83 F10 (0.67) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16467069 0.83 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895176-B1 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF WANBURY LTD (IN) 2016-10-19 EP disclosed
US-9394292-B2 Rivaroxaban intermediate and preparation thereof WANBURY LTD. (IN) 2016-07-19 US disclosed
US-9394292-B2 Rivaroxaban intermediate and preparation thereof WANBURY LTD. (IN) 2016-07-19 US disclosed
US-20150299175-A1 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF WANBURY LTD. (IN) 2015-10-22 US disclosed
US-20150299175-A1 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF WANBURY LTD. (IN) 2015-10-22 US disclosed
WO-2014102820-A2 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF WANBURY LTD. (IN) 2014-07-03 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 (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-20150299175-A1 RIVAROXABAN INTERMEDIATE AND PREPARATION THEREOF VKORC1L1, VKORC1, CYP3A5 F10 27/4885CYP1A2 19/4885CYP3A4 12/4885

“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.