SCHEMBL3017108

SCHEMBL3017108

CC(C)c1c[c]ccc1-c1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
SCN9A Q15858 1/20 0.36
AR P10275 1/20 0.35
KMO O15229 2/20 0.34
TRPV3 Q8NET8 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NOTUM Q6P988 1/20 0.32
FAAH O00519 7/20 0.31
PDE2A O00408 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL20031922 0.76 AKR1C3 (0.41) AKR1C3AKR1C2SCN9AARKMO
SCHEMBL8322023 0.75 PTPN5 (0.42) AKR1C3AKR1C2NOTUM
SCHEMBL9649088 0.74 LMNA (0.33) AKR1C3AKR1C2
SCHEMBL3017106 0.73 KMO (0.37) AKR1C3AKR1C2SCN9AARKMO
SCHEMBL7257158 0.72 NOTUM (0.34) ARNOTUMPDE2A
SCHEMBL8319067 0.71 GCGR (0.33)
SCHEMBL694761 0.70 RAPGEF4 (0.43) SCN9AARNOTUM
SCHEMBL6170221 0.69 NOTUM (0.34) ARNOTUMPDE2A
SCHEMBL9967733 0.69 PDE2A (0.43) AKR1C3AKR1C2KMOTRPV3NOTUM
SCHEMBL4764016 0.69 AR (0.43) SCN9AARKMONOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US claimed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 WO claimed
US-8653262-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-2155689-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008145681-A2 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-04 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-20100204209-A1 CCR2 Receptor Antagonists and Uses Thereof CCR2, CCRL2, CCR1 AKR1C3 356/4885AKR1C2 547/4885SCN9A 4627/4885

“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.