SCHEMBL13225910

SCHEMBL13225910

CC(=O)N1CCCC(C(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.58
CYP2D6 P10635 1/20 0.49
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
EPHX1 P07099 2/20 0.43
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
QDPR P09417 1/20 0.36
LYPLA1 O75608 1/20 0.35
LYPLA2 O95372 1/20 0.35

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
SCHEMBL25018493 0.96 EPHX2 (0.57) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL179353 0.92 EPHX2 (0.66) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL13781666 0.85 EPHX2 (0.46) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL9917273 0.85 EPHX2 (0.46) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL13781667 0.85 EPHX2 (0.46) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL18711626 0.83 SMN1; SMN2 (0.43) EPHX2EPHX1CYP1A2TDP1SMN1; SMN2
SCHEMBL24043984 0.81 HSD11B1 (0.59) EPHX2CYP2D6KCNH2HRH3HSD11B1
SCHEMBL12606929 0.81 EPHX2 (0.55) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL12999220 0.80 CYP2D6 (0.45) EPHX2CYP2D6KCNH2HRH3EPHX1
SCHEMBL1104706 0.80 EPHX2 (0.53) EPHX2CYP2D6KCNH2HRH3EPHX1

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
US-11168093-B2 Thienopyridine inhibitors of RIPK2 CELGENE CORPORATION (US) 2021-11-09 US disclosed
US-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 CELGENE CORPORATION 2020-06-25 US disclosed
US-9149475-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof RIGEL PHARMACEUTICALS, INC. (US) 2013-08-15 US disclosed
US-8377924-B2 Protein kinase C inhibitors and uses thereof RIGEL PHARMACEUTICALS INC. (US) 2013-02-19 US disclosed
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 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-20200199148-A1 THIENOPYRIDINE INHIBITORS OF RIPK2 RIPK2, RIPK1, RIPK4 EPHX2 2343/4885CYP2D6 2953/4885KCNH2 1015/4885
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB EPHX2 2500/4885CYP2D6 4196/4885KCNH2 4109/4885
US-20130210810-A1 Protein Kinase C Inhibitors and Uses Thereof PRKCH, PRKCA, PRKCB EPHX2 2500/4885CYP2D6 4196/4885KCNH2 4109/4885
US-11168093-B2 Thienopyridine inhibitors of RIPK2 RIPK2, RIPK1, RIPK4 EPHX2 2343/4885CYP2D6 2953/4885KCNH2 1015/4885
US-20120276050-A1 METHODS AND COMPOSITIONS OF TREATING A FLAVIVIRIDAE FAMILY VIRAL INFECTION NSUN3, RNGTT, NSUN2 EPHX2 3282/4885CYP2D6 2606/4885KCNH2 4544/4885

“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.