SCHEMBL24322769

SCHEMBL24322769

N=C(N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)CN

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
DPP4 P27487 9/20 0.42
FKBP1A P62942 4/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
F2 P00734 2/20 0.42
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
ALB P02768 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
SCHEMBL31437198 0.84 NTMT1 (0.41) DPP4F2
SCHEMBL9577364 0.83 DPP4 (0.41) DPP4F2
SCHEMBL15524993 0.83 DPP4 (0.41) DPP4F2
SCHEMBL7853147 0.83 DPP4 (0.41) DPP4F2
SCHEMBL15474347 0.83 DPP4 (0.50) NPSR1DPP4POLBTSHRF2
SCHEMBL17706045 0.83 DPP4 (0.47) NPSR1DPP4FKBP1AF2
SCHEMBL10590044 0.82 F2 (0.37) NPSR1DPP4F2PREPFAP
SCHEMBL20729857 0.82 DPP4 (0.48) NPSR1DPP4F2
SCHEMBL29556306 0.81 BDKRB2 (0.39) DPP4
SCHEMBL22209356 0.80 MALT1 (0.41) DPP4F2

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN NPSR1 4254/4885DPP4 532/4885FKBP1A 1983/4885

“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.