SCHEMBL16744667

SCHEMBL16744667

CN(Cc1cc(N)cc(F)c1OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
SLC6A4 P31645 5/20 0.42
GLS O94925 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 1/20 0.38
RIPK1 Q13546 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP19A1 P11511 1/20 0.36
MEN1 O00255 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MDM2 Q00987 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL16737839 0.87 KMT2A (0.44) KMT2AL3MBTL1CYP19A1MEN1LTB4R
SCHEMBL16744666 0.84 CYP19A1 (0.42) HTR2CSLC6A4GLSKMT2AHTR2A
SCHEMBL16747621 0.81 CACNA1G (0.35) HTR2CSLC6A4GLSHTR2ARIPK1
SCHEMBL22513467 0.77 MEN1 (0.51) HTR2CSLC6A4KMT2AL3MBTL1MEN1
SCHEMBL8169426 0.77 RIPK1 (0.46) HTR2CSLC6A4GLSKMT2AHTR2A
SCHEMBL16747639 0.73 PTGDR2 (0.40) KMT2AHTR2AMEN1LMNAPTGDR2
SCHEMBL4798737 0.73 ALOX5 (0.58) KMT2AL3MBTL1MEN1LTB4RLTB4R2
SCHEMBL7190668 0.72 RIPK1 (0.57) HTR2CSLC6A4GLSKMT2ARIPK1
SCHEMBL5065124 0.72 KDM1A (0.52) SLC6A4L3MBTL1
SCHEMBL8017533 0.72 HTR2C (0.47) HTR2CSLC6A4GLSKMT2ARIPK1

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-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-9174974-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 US disclosed
US-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-28 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 (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-20150148313-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 HTR2C 4006/4885SLC6A4 4677/4885GLS 2420/4885

“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.