SCHEMBL12436784

SCHEMBL12436784

CC(=O)C1CCC(NC(=O)NC2CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.56
EPHX1 P07099 11/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL22722017 1.00 EPHX2 (0.56) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL14528029 0.89 EPHX2 (0.46) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12513746 0.89 EPHX2 (0.46) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12436833 0.86 ATM (0.47) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL22722029 0.86 ATM (0.47) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12436014 0.86 ATM (0.47) EPHX2EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL12436769 0.84 EPHX1 (0.47) EPHX2EPHX1KDM4EALDH1A1KMT2A
SCHEMBL22722007 0.84 EPHX1 (0.47) EPHX2EPHX1KDM4EALDH1A1KMT2A
SCHEMBL22722039 0.84 POLB (0.57) EPHX2NPC1RAB9AALDH1A1MEN1
SCHEMBL15733075 0.84 POLB (0.43) EPHX2EPHX1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
WO-2010032856-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME 武田薬品工業株式会社 (JP) 2010-03-25 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 (1 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 1713/4885EPHX1 3088/4885NPC1 1587/4885

“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.