SCHEMBL4153075

SCHEMBL4153075

CC(C)(C)C1CC(c2cncc(C(F)(F)F)c2)=CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
CYP11B2 P19099 6/20 0.38
GRIN2B Q13224 4/20 0.36
PDE4D Q08499 1/20 0.35
HDAC4 P56524 1/20 0.35
CYP11B1 P15538 1/20 0.34
GRIN1 Q05586 1/20 0.34
IDH1 O75874 1/20 0.34
DYRK1A Q13627 2/20 0.34
WNT1 P04628 1/20 0.34
WDR5 P61964 1/20 0.33
USP36 Q9P275 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
RIPK2 O43353 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
SCHEMBL10475874 0.76 GRM1 (0.35)
SCHEMBL4451826 0.76 KMO (0.39)
SCHEMBL3322750 0.73 CYP11B2 (0.45) CYP11B2GRIN2BCYP11B1
SCHEMBL23721776 0.72 AKR1C3 (0.42)
SCHEMBL29579841 0.70 CYP11B2 (0.57) CYP11B2
SCHEMBL4153073 0.70 CYP11B2 (0.57) CYP11B2
SCHEMBL6769067 0.70 MCL1 (0.35)
SCHEMBL4150760 0.70 RBP4 (0.38)
SCHEMBL4159672 0.70 NR1H2 (0.43) CYP11B2CYP11B1
SCHEMBL4150693 0.68 OPRM1 (0.34) CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 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-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 CHRNB2 1563/4885CHRNB4 1615/4885CHRNA3 566/4885

“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.