SCHEMBL1379548

SCHEMBL1379548

O=C(NCc1ccc(F)cc1)C1CN(C(=O)C(c2ccccc2)c2ccccc2)CCN1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 1/20 0.47
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
MC4R P32245 1/20 0.45
AGTR2 P50052 3/20 0.44
SCN5A Q14524 1/20 0.43
SCN9A Q15858 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
SCHEMBL1383286 0.83 P2RX7 (0.46) ALDH1A1TSHRMC4R
SCHEMBL4032604 0.82 ALDH1A1 (0.52) ALDH1A1TSHRTLR2TLR1MC4R
SCHEMBL4032488 0.81 POLB (0.46) ALDH1A1TSHRAGTR2
SCHEMBL4038814 0.79 AGTR2 (0.44) ALDH1A1TSHRAGTR2
SCHEMBL4035013 0.77 MEN1 (0.46) ALDH1A1TSHR
SCHEMBL6189627 0.76 MMP1 (0.52) ALDH1A1
SCHEMBL4032640 0.75 ALDH1A1 (0.41) ALDH1A1TSHRAGTR2
SCHEMBL4033849 0.73 MAPK1 (0.53) ALDH1A1TSHR
SCHEMBL4032579 0.73 ALDH1A1 (0.56) ALDH1A1
SCHEMBL4036580 0.72 ACHE (0.56) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4825664-B2 2011-11-30 JP claimed
EP-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed
US-20070142391-A1 Piperazine-2-carboxamide derivatives MERCK SERONO SA (CH) 2007-06-21 US claimed
EP-1592389-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-11-09 EP claimed
WO-2004071390-A2 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-08-26 WO 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 ALDH1A1 610/4885TSHR 1619/4885TLR2 1172/4885

“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.