SCHEMBL18179956

SCHEMBL18179956

CN(C(=O)[C@@H](N)Cc1cc(F)cc(F)c1)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.37
DPP4 P27487 5/20 0.36
DPP9 Q86TI2 4/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
AAK1 Q2M2I8 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC1A1 P43005 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 2/20 0.32
ABCB11 O95342 1/20 0.32
CHRM2 P08172 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
SCHEMBL18181044 0.90 CIT (0.36) CITDPP4DPP9DPP8DPP7
SCHEMBL18181357 0.90 CIT (0.36) CITDPP4DPP9DPP8DPP7
SCHEMBL18317595 0.87 CIT (0.39) CITAKT1CYP3A4MEN1KMT2A
SCHEMBL18180401 0.87 CIT (0.39) CITAKT1CYP3A4MEN1KMT2A
SCHEMBL19962106 0.87 AAK1 (0.42) AAK1MEN1KMT2AALDH1A1ACHE
SCHEMBL18181034 0.87 AAK1 (0.42) AAK1MEN1KMT2AALDH1A1ACHE
SCHEMBL19962120 0.85 HPGD (0.38) DPP4DPP9MAOBMEN1KMT2A
SCHEMBL18181107 0.85 SMN1; SMN2 (0.38) CITAKT1AKT2AKT3CYP3A4
SCHEMBL18180281 0.84 CIT (0.39) CITAAK1AKT1AKT2AKT3
SCHEMBL19999807 0.83 CIT (0.39) CITDPP4DPP9DPP8DPP7

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
US-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 US disclosed
WO-2016172425-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE (NO.5) LIMITED (GB) 2016-10-27 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E CIT 1229/4885DPP4 3366/4885DPP9 3067/4885

“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.