SCHEMBL18845581

SCHEMBL18845581

CB(O)N1CCCC1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.35
DPP7 Q9UHL4 10/20 0.35
FAP Q12884 8/20 0.35
DPP8 Q6V1X1 7/20 0.35
DPP9 Q86TI2 6/20 0.35
PREP P48147 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
PITRM1 Q5JRX3 1/20 0.33
AR P10275 1/20 0.33
EPHX1 P07099 1/20 0.32
F2 P00734 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL8227865 0.82 ACE (0.41) F2
SCHEMBL85497 0.82 ACE (0.41) F2
SCHEMBL11990391 0.82 ACE (0.41) F2
SCHEMBL11990508 0.82 DPP4 (0.33) DPP4DPP7FAPDPP8DPP9
SCHEMBL415470 0.77 POLB (0.45) SMN1; SMN2
SCHEMBL12288846 0.76 ALDH1A1 (0.39) SMN1; SMN2F2ALDH1A1
SCHEMBL11990446 0.76 ALDH1A1 (0.39) SMN1; SMN2F2ALDH1A1
SCHEMBL11990379 0.76 ALDH1A1 (0.39) SMN1; SMN2F2ALDH1A1
SCHEMBL13541999 0.74 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL6505632 0.74

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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-05-11 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-20170129916-A1 NOVEL BETULINIC PROLINE IMIDAZOLE DERIVATIVES AS HIV INHIBITORS BET1, PRR12, PREP DPP4 480/4885DPP7 255/4885FAP 1637/4885

“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.