SCHEMBL12013045

SCHEMBL12013045

CC1(C)C(=O)N([C@H]2C3CC4CC2C[C@@](C)(C4)C3)N1c1cccc(Cl)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
CYP11B2 P19099 1/20 0.33
DRD2 P14416 4/20 0.32
DRD3 P35462 3/20 0.32
ADRB1 P08588 1/20 0.32
PTPN11 Q06124 8/20 0.32
P2RX7 Q99572 2/20 0.31
BCL2A1 Q16548 1/20 0.31
NOTUM Q6P988 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 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
SCHEMBL12013043 1.00 RECQL (0.34) RECQLCYP11B2DRD2DRD3ADRB1
SCHEMBL12012593 0.90 RECQL (0.33) RECQLCYP11B2DRD2DRD3PTPN11
SCHEMBL12012589 0.90 RECQL (0.33) RECQLCYP11B2DRD2DRD3PTPN11
SCHEMBL2171369 0.90 RECQL (0.33) RECQLCYP11B2DRD2DRD3PTPN11
SCHEMBL2169412 0.90 RECQL (0.33) RECQLCYP11B2DRD2DRD3PTPN11
SCHEMBL2169410 0.90 RECQL (0.33) RECQLCYP11B2DRD2DRD3PTPN11
SCHEMBL12012567 0.89 HSD11B1 (0.39)
SCHEMBL2168732 0.89 HSD11B1 (0.39)
SCHEMBL2168735 0.89 HSD11B1 (0.39)
SCHEMBL2168468 0.88 RECQL (0.36) RECQLCYP11B2DRD2DRD3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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 (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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 RECQL 3061/4885CYP11B2 8/4885DRD2 231/4885

“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.