SCHEMBL3393544

SCHEMBL3393544

CN(C)C(=O)N1CC2CC(C#N)(Cc3ccccc3)CC2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.44
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
KDM1A O60341 1/20 0.37

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
SCHEMBL13001019 1.00 GRIN2B (0.44) GRIN2BDPP4DPP8DPP9NPSR1
SCHEMBL3397597 0.81 GRIN2B (0.46) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL13001025 0.81 GRIN2B (0.46) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL3393535 0.81 GRIN2B (0.46) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL13001013 0.81 GRIN2B (0.46) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL14550849 0.80 GRIN2B (0.46) GRIN2BDPP4DPP8DPP9NPSR1
SCHEMBL3393425 0.79 GRIN2B (0.44) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL3397560 0.79 GRIN2B (0.44) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL13001015 0.79 GRIN2B (0.44) GRIN2BNPSR1GAANPC1ALDH1A1
SCHEMBL13001097 0.79 DPP4 (0.47) DPP4DPP8DPP9GAA

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 GRIN2B 2970/4885DPP4 1/4885DPP8 2/4885
US-20100311747-A1 DICYCLOAZAALKANE DERIVATES, PREPARATION PROCESSES AND MEDICAL USES THEREOF DPP4, DPP8, DPP7 GRIN2B 2680/4885DPP4 1/4885DPP8 2/4885

“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.