SCHEMBL3266695

SCHEMBL3266695

COC(=O)N[C@H](C(=O)N1CCC(F)C1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 11/20 0.47
DPP8 Q6V1X1 4/20 0.47
DPP9 Q86TI2 2/20 0.47
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
DPP7 Q9UHL4 4/20 0.42
CCR1 P32246 4/20 0.41
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 2/20 0.39
CYP2C19 P33261 1/20 0.39
NR1I2 O75469 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL17303216 1.00 DPP4 (0.47) DPP4DPP8DPP9ABL1BCR
SCHEMBL15458238 1.00 DPP4 (0.47) DPP4DPP8DPP9ABL1BCR
SCHEMBL888766 0.84 CCR1 (0.41) DPP4DPP8DPP9ABL1BCR
SCHEMBL10299181 0.84 CCR1 (0.41) ABL1BCRCCR1CYP3A4KCNH2
SCHEMBL888896 0.84 CCR1 (0.41) DPP4DPP8DPP9ABL1BCR
SCHEMBL15457795 0.84 CCR1 (0.41) ABL1BCRCCR1CYP3A4KCNH2
SCHEMBL17303219 0.84 CCR1 (0.41) ABL1BCRCCR1CYP3A4KCNH2
SCHEMBL15457791 0.84 CCR1 (0.41) ABL1BCRCCR1CYP3A4KCNH2
SCHEMBL15691835 0.83 KDM5A (0.47) ABL1BCRCCR1CYP3A4KCNH2
SCHEMBL12824396 0.82 CCR1 (0.38) ABL1BCRCCR1CYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 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-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DPP4 159/4885DPP8 295/4885DPP9 483/4885

“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.