SCHEMBL13195072

SCHEMBL13195072

CCC(C)(CC)c1cccc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR8 P51685 1/20 0.43
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.35
RAB9A P51151 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
BRS3 P32247 1/20 0.33
GRM5 P41594 4/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HDAC6 Q9UBN7 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL18516917 0.83 CCR1 (0.43) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL22375286 0.83 KCNH2 (0.39) CCR1CCR8NOS3NOS2HSD17B10
SCHEMBL12943016 0.81 PGK1 (0.31) HPGDCYP3A4TSHR
SCHEMBL20442158 0.79 MEN1 (0.39) HSD17B10P2RX7RAB9AMEN1KMT2A
SCHEMBL26326025 0.78 KCNH2 (0.41) CCR1CCR8NOS3NOS2HSD17B10
SCHEMBL22375312 0.78 KCNH2 (0.41) CCR1CCR8NOS3NOS2HSD17B10
SCHEMBL958741 0.78 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL13821747 0.78 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL77262 0.78 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1
SCHEMBL29380771 0.78 CCR1 (0.50) CCR1CCR8NOS3NOS2ALDH1A1

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
US-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. 2018-08-02 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 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 (2 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-20180215730-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ADORA2A, ADORA2B, ADORA1 CCR1 447/4885CCR8 243/4885NOS3 4021/4885
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 CCR1 113/4885CCR8 925/4885NOS3 4394/4885

“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.