SCHEMBL1720106

SCHEMBL1720106

O=C(c1c(-c2ccc(N(Cc3ccccc3)Cc3ccccc3)nc2)nc(-c2cccc(OC(F)(F)F)c2)n1C1CC1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
MCHR1 Q99705 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
STAT3 P40763 1/20 0.36
SLC6A7 Q99884 1/20 0.36
CCR5 P51681 1/20 0.35
KCNH2 Q12809 1/20 0.35
ROCK2 O75116 1/20 0.35
CHEK2 O96017 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
CSF1R P07333 1/20 0.35
LYN P07948 1/20 0.35
IGF1R P08069 1/20 0.35

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
SCHEMBL1719005 0.93 ACHE (0.38) ACHEMCHR1AVPR2AVPR1ACCR5
SCHEMBL1719887 0.86 SLC6A7 (0.40) ACHEMCHR1CYP2D6CYP2C19NPSR1
SCHEMBL1719285 0.85 SLC6A7 (0.40) MCHR1CYP2D6CYP2C19NPSR1SLC6A7
SCHEMBL1719235 0.83 JAK2 (0.39) MCHR1TRPV4CYP2D6CYP2C19NPSR1
SCHEMBL1720507 0.83 CYP2C9 (0.47) MCHR1CYP2D6CYP2C19NPSR1SLC6A7
SCHEMBL1720511 0.82 CYP2C9 (0.40) MCHR1CYP2D6CYP2C19NPSR1SLC6A7
SCHEMBL1720242 0.82 CYP2D6 (0.39) MCHR1CYP2D6CYP2C19NPSR1SLC6A7
SCHEMBL1719202 0.81 DGAT2 (0.40) MCHR1CYP2D6CYP2C19NPSR1SLC6A7
SCHEMBL15075656 0.81 DAGLB (0.41)
SCHEMBL1720454 0.80 SLC6A7 (0.40) MCHR1CYP2D6CYP2C19NPSR1SLC6A7

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
CN-101687844-B Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2013-11-13 CN disclosed
EP-2173735-B1 IMIDAZOLE DERIVATIVES AS CCR2 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-01-11 EP disclosed
US-7935707-B2 Imidazole derivatives HOFFMAN-LA ROCHE INC. (US) 2011-05-03 US disclosed
US-20090012063-A1 Novel imidazole derivatives HOFFMANN-LA ROCHE, INC. 2009-01-08 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-20090012063-A1 Novel imidazole derivatives CCR2, CCR1, CCR3 ACHE 3208/4885MCHR1 161/4885TRPV4 178/4885

“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.