SCHEMBL4158820

SCHEMBL4158820

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.37
SLC6A7 Q99884 1/20 0.35
CHRNB4 P30926 6/20 0.35
CHRNA3 P32297 6/20 0.35
NR1H2 P55055 3/20 0.33
GRM1 Q13255 2/20 0.33
AGTR2 P50052 1/20 0.33
NR1H3 Q13133 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
SCHEMBL4153814 0.85 CHRNB2 (0.43) CHRM4SLC6A7CHRNB4CHRNA3
SCHEMBL4159672 0.83 NR1H2 (0.43) CHRM4NR1H2NR1H3
SCHEMBL4225875 0.81 AKR1C3 (0.40) CHRM4SLC6A7NR1H2AGTR2NR1H3
SCHEMBL14159644 0.80 CHRM4 (0.33) CHRM4SLC6A7CHRNB4CHRNA3GRM1
SCHEMBL21224830 0.78 SLC6A7 (0.40) SLC6A7GRM1AGTR2
SCHEMBL29252729 0.77 AGTR2 (0.48) CHRM4SLC6A7NR1H2AGTR2NR1H3
SCHEMBL3325463 0.76 IDO1 (0.42) CHRNB4CHRNA3
SCHEMBL4532377 0.75 HTR3A (0.53) CHRM4
SCHEMBL23877686 0.74 TRPC6 (0.46) CHRM4SLC6A7GRM1
SCHEMBL4749555 0.73 KDM4E (0.42) SLC6A7GRM1

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 CHRM4 1211/4885SLC6A7 1266/4885CHRNB4 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.