SCHEMBL17705199

SCHEMBL17705199

CN(Cc1cc(N)ccc1CC(F)F)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
HTR2C P28335 6/20 0.35
SLC6A4 P31645 6/20 0.35
NR1H2 P55055 1/20 0.35
HTR2A P28223 1/20 0.34
RIPK1 Q13546 4/20 0.34
AAK1 Q2M2I8 1/20 0.33
SOS1 Q07889 1/20 0.33
PDK2 Q15119 1/20 0.33
PRKCI P41743 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL31468983 0.84 HTR2C (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL8169426 0.84 RIPK1 (0.46) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL8160937 0.84 MEN1 (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL16306919 0.83 CACNA1G (0.35) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL13332070 0.82 KDM4E (0.40) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL18186254 0.82 HTR2C (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL8164937 0.82 HTR2C (0.38) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL8169606 0.82 SLC6A4 (0.42) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4
SCHEMBL17705197 0.81 ITGA4 (0.43)
SCHEMBL545286 0.81 CACNA1G (0.47) CACNA1GCACNA1BCACNA1CHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 CACNA1G 4553/4885CACNA1B 3944/4885CACNA1C 4552/4885

“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.