SCHEMBL4042490

SCHEMBL4042490

NC(=O)N1CCNC(C(N)=O)([C@@H]2CCc3ccccc32)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 8/20 0.39
DDB1 Q16531 1/20 0.39
HSD11B1 P28845 1/20 0.35
OPRM1 P35372 2/20 0.34
DPP4 P27487 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
DRD1 P21728 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1380234 1.00 CRBN (0.39) CRBNDDB1HSD11B1OPRM1DPP4
SCHEMBL4037125 1.00 CRBN (0.39) CRBNDDB1HSD11B1OPRM1DPP4
SCHEMBL5635771 0.65 OPRD1 (0.36) NPSR1
SCHEMBL30125685 0.64 HDAC9 (0.39) TSHR
Hydrochloric Acid SCHEMBL10600334 0.63 CHRM2 (0.44) HSD11B1
SCHEMBL8546143 0.61 SIGMAR1 (0.49)
SCHEMBL17335654 0.60 TRPM8 (0.44) HSD11B1TRPM8
SCHEMBL15882481 0.60 TRPM8 (0.44) HSD11B1TRPM8
SCHEMBL2475968 0.60 PIN1 (0.58) CRBNTRPM8
SCHEMBL643577 0.60 PIN1 (0.58) CRBNTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
US-8404690-B2 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2013-03-26 US disclosed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP disclosed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 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-20070142391-A1 Piperazine-2-carboxamide derivatives P2RX5, P2RX2, NPY5R CRBN 3442/4885DDB1 4312/4885HSD11B1 3490/4885

“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.