SCHEMBL21207665

SCHEMBL21207665

CCC(C)(C)C(=O)NC1COC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.42
KDM5A P29375 1/20 0.36
RIPK1 Q13546 4/20 0.35
CNR2 P34972 8/20 0.33
SSTR4 P31391 3/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CNR1 P21554 2/20 0.32
SSTR1 P30872 1/20 0.32
ACSS2 Q9NR19 1/20 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
SCHEMBL18909746 0.82 CCR2 (0.49) CCR2KDM5ARIPK1SSTR4PDK1
SCHEMBL22280240 0.80 SIGMAR1 (0.43) CCR2KDM5ASSTR4SSTR1
SCHEMBL12208867 0.79 ALDH1A1 (0.46) CCR2PDK1PDK2PDK3PDK4
SCHEMBL18909861 0.78 CCR2 (0.50) CCR2CNR2PDK1PDK2PDK3
SCHEMBL25676636 0.78 PDK1 (0.39) PDK1PDK2PDK3PDK4ACSS2
SCHEMBL14114344 0.77 PDK1 (0.56) CCR2PDK1PDK2PDK3PDK4
SCHEMBL23169306 0.76 PDK1 (0.42) PDK1PDK2PDK3PDK4
SCHEMBL14008106 0.75 CCR2 (0.41) CCR2KDM5ARIPK1CNR2SSTR4
SCHEMBL12334726 0.74 EPHX1 (0.52) CCR2KDM5ASSTR4PDK1PDK2
SCHEMBL13854074 0.74 RIPK1 (0.40) CCR2RIPK1CNR2CNR1ACSS2

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-10676479-B2 Imidazolepyridine compounds and uses thereof NOVARTIS AG (CH) 2020-06-09 US disclosed
US-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2019-08-01 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-20190233426-A1 IMIDAZOLEPYRIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, BMI1 CCR2 3172/4885KDM5A 84/4885RIPK1 1231/4885
US-10676479-B2 Imidazolepyridine compounds and uses thereof EZH2, DOT1L, BMI1 CCR2 3172/4885KDM5A 84/4885RIPK1 1231/4885

“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.