SCHEMBL4153814

SCHEMBL4153814

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.43
CHRNA4 P43681 7/20 0.43
CHRNB4 P30926 5/20 0.43
CHRNA3 P32297 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CHRM4 P08173 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A7 Q99884 1/20 0.35
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.33

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
SCHEMBL4158820 0.85 CHRM4 (0.37) CHRNB4CHRNA3CHRM4SLC6A7
SCHEMBL4159672 0.83 NR1H2 (0.43) SMN1; SMN2CHRM4
SCHEMBL11963285 0.81 NR1H2 (0.44) SMN1; SMN2SLC6A7
SCHEMBL5341381 0.79 PHGDH (0.39) HTTHPGD
SCHEMBL22519008 0.79 CHRM1 (0.46) CHRM4SLC6A7
SCHEMBL14159644 0.78 CHRM4 (0.33) CHRNB4CHRNA3CHRM4SLC6A7
SCHEMBL21224830 0.78 SLC6A7 (0.40) SLC6A7
SCHEMBL29252729 0.77 AGTR2 (0.48) CHRM4ALDH1A1SLC6A7
SCHEMBL901923 0.76 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3SMN1; SMN2
SCHEMBL4532377 0.75 HTR3A (0.53) CHRNB2CHRNA4CHRM4

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 CHRNB2 1563/4885CHRNA4 935/4885CHRNB4 1615/4885

“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.