SCHEMBL20892192

SCHEMBL20892192

Cc1cccc(C(C)(C)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
CCR8 P51685 1/20 0.46
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
IDH1 O75874 1/20 0.36
IDH2 P48735 1/20 0.36
RAB9A P51151 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
GAA P10253 1/20 0.35
GRM5 P41594 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34

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
SCHEMBL20909878 0.86 CCR1 (0.46) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL31596325 0.86 CCR1 (0.46) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL129092 0.84 CCR1 (0.48) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL955807 0.84 CCR1 (0.48) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL29380771 0.81 CCR1 (0.50) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL77262 0.81 CCR1 (0.50) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL13821747 0.81 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL958741 0.81 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL15255833 0.80 CCR1 (0.44) CCR1CCR8NOS3NOS2HSD11B1
SCHEMBL15832235 0.79 HSD11B1 (0.41) CCR1CCR8NOS3NOS2HSD11B1

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
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 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-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 CCR1 3859/4885CCR8 2411/4885NOS3 4089/4885

“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.