SCHEMBL3394965

SCHEMBL3394965

CN(C)C(=O)N1CC2CC(C#N)(CC3CCCCC3)CC2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
CTSK P43235 9/20 0.34
CTSL P07711 6/20 0.34
CTSB P07858 6/20 0.34
CTSH P09668 5/20 0.33
GRIN2B Q13224 2/20 0.33
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL13001043 1.00 DPP4 (0.47) DPP4DPP8DPP9CTSKCTSL
SCHEMBL3397601 0.84 GRIN2B (0.36) DPP4DPP8DPP9CTSKCTSL
SCHEMBL3392369 0.81 DPP4 (0.47) DPP4DPP8DPP9GAA
SCHEMBL13001097 0.81 DPP4 (0.47) DPP4DPP8DPP9GAA
SCHEMBL3396500 0.80 DPP4 (0.40) DPP4DPP8DPP9GRIN2BHSD11B1
SCHEMBL13001053 0.80 DPP4 (0.40) DPP4DPP8DPP9GRIN2BHSD11B1
SCHEMBL13001048 0.79 DPP4 (0.39) DPP4DPP8DPP9GRIN2BHSD11B1
SCHEMBL3397027 0.79 DPP4 (0.39) DPP4DPP8DPP9GRIN2BHSD11B1
SCHEMBL14550881 0.79 DPP4 (0.44) DPP4DPP8DPP9GRIN2BMEN1
SCHEMBL3392920 0.78 DPP4 (0.39) DPP4DPP8DPP9GRIN2BHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246347-B1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARM CO LTD (CN) 2016-09-28 EP disclosed
US-8415349-B2 Dicycloazaalkane derivatives, preparation processes and medical uses thereof Jiangsu Hansoh Pharmaceuticals Co., Ltd. (CN) 2013-04-09 US disclosed
US-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2013-01-10 US disclosed
US-8304411-B2 Dicycloazaalkane derivates, preparation processes and medical uses thereof JIANGSU HANSOH PHARMACEUTICAL CO., LTD. (CN) 2012-11-06 US disclosed
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO. LTD. (CN) 2010-12-09 US disclosed
EP-2246347-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF Shanghai Hengrui Pharmaceutical Co. Ltd. (CN) 2010-11-03 EP 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-20130012705-A1 DICYCLOAZAALKANE DERIVATIVES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 DPP4 1/4885DPP8 2/4885DPP9 5/4885
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 DPP4 1/4885DPP8 2/4885DPP9 5/4885

“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.