SCHEMBL10216770

SCHEMBL10216770

CC(=O)N[C@H]1CC[C@@H](C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
ATM Q13315 2/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
EPHX2 P34913 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HCRTR2 O43614 1/20 0.36
MMP2 P08253 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 2/20 0.35
PKM P14618 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KDM1A O60341 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL12303982 1.00 DPP4 (0.47) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL461983 1.00 DPP4 (0.47) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL15569332 0.92 EPHX1 (0.47) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL25444531 0.88 ATM (0.46) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL284342 0.83 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL284319 0.83 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL284318 0.83 ATM (0.56) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL50350 0.83
SCHEMBL18882524 0.83 DPP4 (0.44) DPP4DPP8ATMALDH1A1KDM4E
SCHEMBL17872563 0.82 DPP4 (0.43) DPP4DPP8ATMALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-02-07 US disclosed
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls NOVARTIS AG (CH) 2012-11-15 US disclosed
US-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2012-11-01 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS NOVARTIS AG (CH) 2012-06-28 US disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 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 (5 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-20120277255-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 DPP4 4162/4885DPP8 3082/4885ATM 427/4885
US-20120289501-A1 Benzene-fused 6-membered oxygen-containing heterocyclic derivatives of bicyclic heteroaryls CYP1B1, CYP11B2, CCNI DPP4 4358/4885DPP8 4523/4885ATM 2295/4885
US-20130035334-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE ABL1, BTK, ABL2 DPP4 4162/4885DPP8 3082/4885ATM 427/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 DPP4 90/4885DPP8 686/4885ATM 143/4885
US-20120165310-A1 ETHER DERIVATIVES OF BICYCLIC HETEROARYLS ETV6, CYP11B2, CYP11B1 DPP4 2994/4885DPP8 2588/4885ATM 3717/4885

“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.