SCHEMBL13217751

SCHEMBL13217751

CCn1c(N2CCNCC2)nc2ccn(CCOc3ccccc3)c(=O)c21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.54
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
DPP4 P27487 1/20 0.44
HTR3A P46098 3/20 0.43
TLR7 Q9NYK1 1/20 0.43
SOS1 Q07889 1/20 0.41

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
SCHEMBL13201009 0.88 DPP4 (0.54) HTR2CDPP4
SCHEMBL13217754 0.85 HTR3A (0.57) HTR2CTP53ALDH1A1MAPK1DPP4
SCHEMBL13217574 0.83 HTR2C (0.53) HTR2CTP53ALDH1A1TSHRMAPK1
Trifluoroacetic Acid SCHEMBL2958830 0.82 DPP4 (0.49) HTR2CDPP4
SCHEMBL13217750 0.79 SMN1; SMN2 (0.45) ALDH1A1TSHRDPP4HTR3A
SCHEMBL13217743 0.79 PIM1 (0.49) ALDH1A1DPP4HTR3A
SCHEMBL4068476 0.76 HTR3A (0.62) ALDH1A1TSHRDPP4HTR3ASOS1
SCHEMBL13200868 0.74 HTR3A (0.54) HTR2CDPP4HTR3ASOS1
SCHEMBL2641132 0.73 HTR2C (0.47) HTR2CALDH1A1
SCHEMBL6380045 0.73 DPP4 (0.61) DPP4HTR3A

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 2 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

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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HTR2C 1288/4885TP53 2431/4885ALDH1A1 686/4885

“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.