SCHEMBL8229381

SCHEMBL8229381

CC[C@@H]1CCN(C(C)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
EPHX2 P34913 5/20 0.39
EPHX1 P07099 3/20 0.39
CHRNB2 P17787 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
BRD4 O60885 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB4 P30926 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL8424182 1.00 DPP8 (0.46) DPP8DPP7EPHX2EPHX1CHRNB2
SCHEMBL17002124 1.00 DPP8 (0.46) DPP8DPP7EPHX2EPHX1CHRNB2
SCHEMBL18331515 0.88 CYP4F2 (0.40) DPP8DPP7EPHX2BRD4
SCHEMBL12683452 0.88 CYP4F2 (0.40) DPP8DPP7EPHX2BRD4
SCHEMBL9921219 0.88 CYP4F2 (0.40) DPP8DPP7EPHX2BRD4
SCHEMBL178409 0.87 CYP1A2 (0.44) EPHX2EPHX1CYP1A2TDP1
SCHEMBL31181850 0.85 INPP5A (0.38) DPP8DPP7EPHX2EPHX1CHRNB2
SCHEMBL13509613 0.84 GNAI3 (0.40) DPP8DPP7EPHX2EPHX1CHRNB2
SCHEMBL18897210 0.84 GNAI3 (0.40) DPP8DPP7EPHX2EPHX1CHRNB2
SCHEMBL8155198 0.83 NPC1 (0.40) EPHX2EPHX1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2017-09-21 US disclosed
US-9663524-B2 Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors CELGENE CAR LLC (BM) 2017-05-30 US disclosed
US-9573958-B2 Benzimidazole derivatives as ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-21 US disclosed
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-02-18 US disclosed
US-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. 2015-08-13 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO 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 (3 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-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS BMX, ITK, BLK DPP8 1811/4885DPP7 2377/4885EPHX2 1281/4885
US-20170267685-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DPP8 3723/4885DPP7 3531/4885EPHX2 1852/4885
US-20160046634-A1 HETEROARYL COMPOUNDS AND USES THEREOF PRKACA, PRKDC, AURKC DPP8 3723/4885DPP7 3531/4885EPHX2 1852/4885

“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.