SCHEMBL2959504

SCHEMBL2959504

CC#CCn1c(C2=CCN(Cc3ccc(OC)cc3)CC2)nc2cnn(C)c(=O)c21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
CHRM1 P11229 2/20 0.40
HTR1A P08908 5/20 0.39
DRD2 P14416 5/20 0.39
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOB P27338 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
FFAR1 O14842 1/20 0.34
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 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
Hydrochloric Acid SCHEMBL2958754 0.75 DPP4 (0.35) DPP4CHRM1KDM4ESMN1; SMN2MEN1
SCHEMBL13201048 0.73 DPP4 (0.40) DPP4CHRM1
SCHEMBL2967103 0.64 DPP4 (0.61) DPP4CHRM1
SCHEMBL13969616 0.63 MEN1 (0.39) KDM4ESMN1; SMN2MEN1KMT2APDE1A
SCHEMBL238334 0.62 MEN1 (0.66) HTR1ADRD2KDM4ESMN1; SMN2MEN1
SCHEMBL8704435 0.62 DRD2 (0.78) HTR1ADRD2KDM4ESMN1; SMN2PARP1
SCHEMBL16972446 0.61 ALDH1A1 (0.56) KDM4ESMN1; SMN2MEN1KMT2APDE1A
Hydrochloric Acid SCHEMBL19066024 0.61 MEN1 (0.65) HTR1ADRD2KDM4ESMN1; SMN2MEN1
SCHEMBL13200979 0.60 DPP4 (0.45) DPP4CHRM1PARP1
SCHEMBL2952455 0.60 DPP4 (0.43) DPP4CHRM1

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 4422/4885CHRM1 19/4885HTR1A 914/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885HTR1A 846/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 DPP4 1/4885CHRM1 43/4885HTR1A 846/4885

“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.