SCHEMBL8277752

SCHEMBL8277752

CC#CCn1c(Cl)nc(C=O)c1C(=O)OC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.35
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMO Q99835 1/20 0.30

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
SCHEMBL8276522 0.99 DPP4 (0.34) DPP4SMO
SCHEMBL8276521 0.98 DPP4 (0.34) DPP4
SCHEMBL13485011 0.85 ALDH1A1 (0.39) ALDH1A1MAPTHTT
SCHEMBL8276520 0.85
SCHEMBL13485035 0.84 ALDH1A1 (0.37) ALDH1A1MAPTHTTSMO
SCHEMBL8277746 0.84 JMJD6 (0.34) DPP4
SCHEMBL13485020 0.83 ALDH1A1 (0.35) ALDH1A1MAPTHTTSMO
SCHEMBL8277758 0.79 LMNA (0.34) DPP4ALDH1A1MAPTHTT
SCHEMBL8276516 0.77 HSP90B1 (0.31)
SCHEMBL8276525 0.74 DPP4 (0.32) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7667035-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-23 US disclosed
US-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-22 US disclosed
US-7439370-B2 Imidazole derivatives, their preparation and their use as intermediates for the preparation of pharmaceutical compositions and pesticides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
WO-2005110999-A1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS INTERMEDIATE PRODUCTS FOR PRODUCING MEDICAMENTS AND PESTICIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO 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-20090023920-A1 IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INTERMEDIATES FOR THE PREPARATION OF PHARMACEUTICAL COMPOSITIONS AND PESTICIDES CHRM1, CHRM2, CYP3A43 DPP4 774/4885ALDH1A1 1775/4885MAPT 59/4885

“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.