SCHEMBL12436664

SCHEMBL12436664

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.36
NAMPT P43490 1/20 0.32
POLB P06746 2/20 0.32
EPHX1 P07099 1/20 0.30
ATM Q13315 1/20 0.30
MMP2 P08253 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL8223092 1.00 EPHX2 (0.36) EPHX2NAMPTPOLBEPHX1ATM
SCHEMBL13282349 1.00 EPHX2 (0.36) EPHX2NAMPTPOLBEPHX1ATM
SCHEMBL10137434 0.88 ATM (0.33) EPHX2NAMPTPOLBATM
SCHEMBL13186124 0.88 ATM (0.33) EPHX2NAMPTPOLBATM
SCHEMBL13321815 0.88 POLB (0.50) EPHX2POLB
SCHEMBL19263835 0.82 EPHX2 (0.37) EPHX2NAMPTPOLBEPHX1ATM
Acetic Acid SCHEMBL5502504 0.81
SCHEMBL2617044 0.81 MAPT (0.38) EPHX2NAMPTPOLB
SCHEMBL76462 0.81
SCHEMBL13165462 0.81 MAPT (0.38) EPHX2NAMPTPOLB

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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-8357654-B2 Multimeric CD40 ligands, method for preparing same and use thereof for preparing drugs CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-22 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US disclosed
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-06-03 US disclosed
EP-1828240-B1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NAT RECH SCIENT (FR) 2009-07-29 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 (4 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B EPHX2 1713/4885NAMPT 2122/4885POLB 3271/4885
US-20100183642-A1 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CD40, CD40LG, TNFSF10 EPHX2 1289/4885NAMPT 2904/4885POLB 3609/4885
US-20100136034-A1 NOVEL MULTIMERIC MOLECULES, A PROCESS FOR PREPARING THE SAME AND THE USE THEREOF FOR MANUFACTURING MEDICINAL DRUGS TNFRSF1A, TNFRSF9, CD40 EPHX2 967/4885NAMPT 3192/4885POLB 3362/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 EPHX2 703/4885NAMPT 1557/4885POLB 4003/4885

“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.