SCHEMBL1720102

SCHEMBL1720102

O=C(O)c1c(I)nc(-c2cccc(C(F)(F)F)c2)n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
XDH P47989 1/20 0.44
PIN1 Q13526 1/20 0.44
KMO O15229 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HTR2B P41595 1/20 0.43
HTR6 P50406 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KMT2A Q03164 3/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL27800422 0.89 TP53 (0.45) ALDH1A1SMN1; SMN2XDHPIN1OPRM1
SCHEMBL1719242 0.83 CYP11B2 (0.47) OPRM1OPRD1OPRK1OPRL1HTR2B
SCHEMBL1720504 0.82 L3MBTL3 (0.44) OPRM1OPRD1OPRK1OPRL1
SCHEMBL1719194 0.81 GRIN1 (0.46) ALDH1A1SMN1; SMN2XDHPIN1KMO
SCHEMBL1719970 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2XDHPIN1KMO
SCHEMBL1719478 0.78 XDH (0.50) ALDH1A1SMN1; SMN2XDHPIN1KMO
SCHEMBL14382573 0.73 L3MBTL1 (0.58) OPRM1OPRD1OPRK1OPRL1HTR2B
SCHEMBL1719382 0.72 IRAK4 (0.45)
SCHEMBL1719864 0.71 PDE4A (0.44) XDH
SCHEMBL1719249 0.70 ACACB (0.46) ALDH1A1CNR2EGFR

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 5 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
CN-101687844-A Imidazole derivatives as CCR2 receptor antagonists HOFFMANN LA ROCHE 2010-03-31 CN 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 ALDH1A1 1556/4885SMN1; SMN2 3584/4885XDH 1490/4885

“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.