SCHEMBL2961605

SCHEMBL2961605

CC#CCN1c2c(cnn(Cc3ccccc3C(F)(F)F)c2=O)N(OC(=O)C(F)(F)F)C1N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.36
CHRM1 P11229 2/20 0.34
DPP4 P27487 2/20 0.34
MRGPRX1 Q96LB2 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR2 P34972 2/20 0.32
DRD2 P14416 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL2966572 0.89 DPP4 (0.33) CHRM1DPP4MRGPRX1TDP1DRD2
SCHEMBL2956620 0.89 MRGPRX1 (0.33) CHRM1DPP4MRGPRX1DRD2HTR1D
SCHEMBL2959465 0.88 GRIN1 (0.34) CHRM1DPP4MRGPRX1HTR2AHTR2C
SCHEMBL2962297 0.86
SCHEMBL2952485 0.86 NPBWR1 (0.38) NPBWR1CHRM1DPP4MRGPRX1KMT2A
SCHEMBL2958979 0.85 DPP4 (0.39) CHRM1DPP4KMT2AMEN1
SCHEMBL2952351 0.85 PFKFB3 (0.34) CHRM1DPP4ALDH1A1
SCHEMBL2964667 0.85 CHRM1 (0.34) CHRM1DPP4MRGPRX1
SCHEMBL2965090 0.84 DPP4 (0.31) CHRM1DPP4
SCHEMBL2957734 0.84 NPC1 (0.35) CHRM1DPP4KMT2AALDH1A1MEN1

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 NPBWR1 2038/4885CHRM1 19/4885DPP4 4422/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 NPBWR1 1779/4885CHRM1 43/4885DPP4 1/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 NPBWR1 1779/4885CHRM1 43/4885DPP4 1/4885

“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.