SCHEMBL12437240

SCHEMBL12437240

CC(=O)N1CCC(c2nnc(C)o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.45
OGA O60502 3/20 0.42
HSD11B1 P28845 1/20 0.41
CCR5 P51681 1/20 0.41
QDPR P09417 1/20 0.41
TP53 P04637 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL16400584 0.87 CCR5 (0.43) ENPP2OGAHSD11B1CCR5TP53
SCHEMBL2600232 0.83 HSD11B1 (0.55) ENPP2HSD11B1CCR5TP53
SCHEMBL314695 0.80 SMN1; SMN2 (0.58) ENPP2
SCHEMBL26268604 0.79 OGA (0.48) ENPP2OGAHSD11B1CCR5HRH3
SCHEMBL315401 0.77 MGLL (0.53) ENPP2TP53
SCHEMBL8226321 0.76
SCHEMBL441460 0.73 CCR5 (0.40) OGAHSD11B1CCR5
SCHEMBL408297 0.73 CCR5 (0.40) OGAHSD11B1CCR5
SCHEMBL2899076 0.73 SMN1; SMN2 (0.57) ENPP2
SCHEMBL22628912 0.73 HSD11B1 (0.54) OGAHSD11B1CCR5

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 6 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-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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 ENPP2 1329/4885OGA 2607/4885HSD11B1 1352/4885

“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.