SCHEMBL2952258

SCHEMBL2952258

COc1cccc(C(=O)Cn2ncc3c(c2=O)N(Cc2ccccc2)C(N2CCNCC2)N3OC(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.44
SCN9A Q15858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CHRM3 P20309 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNH2 Q12809 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ADRB2 P07550 1/20 0.34
DRD2 P14416 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1B P35368 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34

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
SCHEMBL2952472 0.92 DRD2 (0.35) DPP4ALDH1A1KDM4EKMT2AADRB2
SCHEMBL2964028 0.89 DPP4 (0.45) DPP4SCN9AKMT2AKCNH2AURKA
SCHEMBL2958559 0.84 ALDH1A1 (0.35) ALDH1A1ADRB2DRD2HTR1DHTR1B
SCHEMBL2959531 0.83 NPC1 (0.36) ALDH1A1KDM4EKMT2AKCNH2ADRB2
SCHEMBL2962537 0.83 PFKFB3 (0.37) ALDH1A1KMT2AADRB2DRD2HTR1D
SCHEMBL2958979 0.82 DPP4 (0.39) DPP4KMT2ASMN1; SMN2
SCHEMBL2965274 0.82 BRD9 (0.33) DPP4ALDH1A1ADRB2DRD2HTR1D
SCHEMBL2968180 0.81 MRGPRX1 (0.33) ADRB2DRD2HTR1DHTR1BHTR2A
SCHEMBL2966949 0.80 DPP4 (0.35) DPP4ALDH1A1KDM4EKMT2ALMNA
SCHEMBL2965090 0.77 DPP4 (0.31) DPP4LMNA

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-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 DPP4 4422/4885SCN9A 3551/4885RXFP1 1119/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885SCN9A 2514/4885RXFP1 1112/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885SCN9A 2514/4885RXFP1 1112/4885

“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.