SCHEMBL336345

SCHEMBL336345

CC[C@@H]1CN2CC[C@@H]1CC2[C@H](Oc1nnc(O[C@H](c2ccnc3ccc(OC)cc23)C2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.71
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 5/20 0.71
HSD17B10 Q99714 5/20 0.71
CYP3A4 P08684 4/20 0.71
ADRA2A P08913 4/20 0.71
SLC6A4 P31645 4/20 0.71
OPRM1 P35372 4/20 0.71
KCNH2 Q12809 4/20 0.71
HPGD P15428 3/20 0.71
TSHR P16473 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
SLC6A3 Q01959 2/20 0.71
CHRM2 P08172 1/20 0.71
MAPT P10636 1/20 0.63
SCN1A P35498 4/20 0.58
SCN2A Q99250 4/20 0.58
SCN3A Q9NY46 4/20 0.58
CALCRL Q16602 3/20 0.57

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
SCHEMBL15825241 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1955400 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL15825563 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL336344 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL2681197 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL25307727 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1955402 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL16234465 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL910031 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1955401 1.00 CYP2D6 (0.71) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263621-B2 Tartrate derivatives for use as coagulation factor IXa inhibitors SANOFI (FR) 2012-09-11 US disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 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 (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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 CYP2D6 2324/4885KDM4E 3870/4885ALDH1A1 3166/4885
US-20090233961-A1 TARTRATE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, TFPI2, F9 CYP2D6 769/4885KDM4E 3131/4885ALDH1A1 475/4885

“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.