SCHEMBL3269005

SCHEMBL3269005

COC(=O)NCC(=O)N1CCCC1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAP Q12884 8/20 0.47
PREP P48147 8/20 0.47
DPP4 P27487 10/20 0.47
DPP7 Q9UHL4 3/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL15765611 1.00 FAP (0.47) FAPPREPDPP4DPP7KMT2A
SCHEMBL10117317 1.00 FAP (0.47) FAPPREPDPP4DPP7KMT2A
SCHEMBL23314866 0.85 MEN1 (0.51) FAPPREPDPP4KMT2ASMN1; SMN2
SCHEMBL1633733 0.85 MEN1 (0.51) FAPPREPDPP4KMT2ASMN1; SMN2
SCHEMBL8350270 0.81 PREP (0.48) FAPPREPDPP4DPP7DPP8
SCHEMBL8253564 0.81 DPP4 (0.44) FAPPREPDPP4DPP7DPP8
SCHEMBL8350007 0.81 ACE (0.51) FAPPREPDPP4
SCHEMBL18636997 0.81 ACE (0.51) FAPPREPDPP4
SCHEMBL8350809 0.81 POLB (0.49) FAPPREPDPP4DPP7SMN1; SMN2
SCHEMBL12824557 0.80 PREP (0.43) FAPPREPDPP4DPP7DPP8

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
EP-2678334-B1 ANTI-VIRAL COMPOUNDS ABBVIE BAHAMAS LTD (BS) 2017-03-22 EP disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
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 (2 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-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FAP 2726/4885PREP 1022/4885DPP4 159/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS FAP 2726/4885PREP 1022/4885DPP4 159/4885

“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.