SCHEMBL16744722

SCHEMBL16744722

CN(Cc1cc(N)ccc1CC#N)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ABCB1 P08183 1/20 0.37
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL13331012 0.83 PTGDR2 (0.46) PTGDR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL616125 0.83 PTGDR2 (0.44) PTGDR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16737854 0.83 ITGA4 (0.45) PTGDR2CTSBALDH1A1CYP19A1MAPT
SCHEMBL16744654 0.81 PTGDR2 (0.43) PTGDR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2563366 0.78 HSD11B1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL13331539 0.77 PTGDR2 (0.40) PTGDR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11110649 0.75 ALDH1A1 (0.50) CTSLCTSBCTSSCTSKALDH1A1
SCHEMBL13687204 0.74 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL10165003 0.74 PTGDR2 (0.44) PTGDR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19384151 0.73 HRH1 (0.46) CTSLCTSBCTSSCTSKALDH1A1

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 PTGDR2 2234/4885CHRNB2 4513/4885CHRNB4 4652/4885

“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.