SCHEMBL4159672

SCHEMBL4159672

CC(C)(C)C1CN(c2cncc(C(F)(F)F)c2)CCN1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
ACACB O00763 1/20 0.42
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
SLC6A9 P48067 2/20 0.40
NOTUM Q6P988 2/20 0.38
CHRM4 P08173 2/20 0.37
CYP11B2 P19099 4/20 0.36
CYP11B1 P15538 3/20 0.36
LCAT P04180 2/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL4153814 0.83 CHRNB2 (0.43) CHRM4SMN1; SMN2
SCHEMBL4158820 0.83 CHRM4 (0.37) NR1H2NR1H3CHRM4
SCHEMBL5341381 0.81 PHGDH (0.39) IDO1TDO2SLC6A9NOTUMLMNA
SCHEMBL20549169 0.80 RHOA (0.38) IDO1TDO2SLC6A9
SCHEMBL23705807 0.80 CHRM2 (0.51) NR1H2NR1H3ACACBSLC6A9CHRM4
SCHEMBL3327045 0.79 IDO1 (0.57) IDO1TDO2LMNASMN1; SMN2CCR2
SCHEMBL5344877 0.78 FFAR4 (0.36) IDO1TDO2SLC6A9NOTUMLMNA
SCHEMBL23706068 0.77 RBP4 (0.43) LMNASMN1; SMN2
SCHEMBL21224830 0.76 SLC6A7 (0.40) NOTUM
SCHEMBL14159644 0.76 CHRM4 (0.33) CHRM4

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-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 US disclosed
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 NR1H2 159/4885NR1H3 148/4885ACACB 1332/4885

“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.