SCHEMBL17933640

SCHEMBL17933640

CN1CCN(Cc2ccc(-c3ccc(C[C@H](C#N)NC(=O)C4(N)CCOCC4)cc3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 15/20 0.71
KCNH2 Q12809 2/20 0.70
LTB4R Q15722 1/20 0.70
LTB4R2 Q9NPC1 1/20 0.70
CTSK P43235 4/20 0.67
CHKA P35790 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CTSH P09668 1/20 0.41
CYP2D6 P10635 1/20 0.41
PIN1 Q13526 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
SCHEMBL17924021 1.00 CTSC (0.71) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL17924020 1.00 CTSC (0.71) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12687941 0.91 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12494849 0.91 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12494857 0.91 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12494797 0.90 CTSC (0.69) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12494863 0.90 CTSC (0.69) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12687903 0.90 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL19869129 0.90 CTSC (0.58) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL12687902 0.89 CTSC (0.57) CTSCKCNH2LTB4RLTB4R2CTSK

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-9856228-B2 Peptidyl nitril compounds as dipeptidyl peptidase I inhibitors PROZYMEX A/S (DK) 2018-01-02 US disclosed
US-20160207900-A1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS PROZYMEX A/S (DK) 2016-07-21 US disclosed
US-20160207900-A1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS PROZYMEX A/S (DK) 2016-07-21 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-20160207900-A1 PEPTIDYL NITRIL COMPOUNDS AS DIPEPTIDYL PEPTIDASE I INHIBITORS DPP4, DPP3, DPP8 CTSC 7/4885KCNH2 3882/4885LTB4R 2375/4885

“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.