SCHEMBL14830381

SCHEMBL14830381

CC(=O)NCC1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
ABCB11 O95342 1/20 0.69
F2 P00734 1/20 0.69
ST14 Q9Y5Y6 1/20 0.69
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
LMNA P02545 1/20 0.64
PTGS1 P23219 1/20 0.64
CALML3 P27482 1/20 0.64
SDHA P31040 1/20 0.64

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
SCHEMBL14830380 1.00 F10 (0.72) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL806187 0.91 F10 (0.74) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13644188 0.90 F10 (0.68) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13644187 0.90 F10 (0.68) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838774 0.90 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16467069 0.90 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28404050 0.89 F10 (0.69) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28891001 0.89 F10 (0.73) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27801854 0.89 MAOB (0.75) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5431183 0.89 MAOB (0.75) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013046211-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENE-CARBOXAMIDE AND INTERMEDIATES THEREOF SYMED LABS LIMITED (IN) 2013-04-04 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.