SCHEMBL13440508

SCHEMBL13440508

C=C(CN[C@@H]1CC[C@@](C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)(C(C)(C)O)C1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 20/20 0.52
KCNH2 Q12809 6/20 0.50
CCR5 P51681 2/20 0.47

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
SCHEMBL3028334 0.88 CCR2 (0.53) CCR2KCNH2CCR5
SCHEMBL3326136 0.87 CCR2 (0.56) CCR2KCNH2CCR5
SCHEMBL3330419 0.87 CCR2 (0.56) CCR2KCNH2CCR5
SCHEMBL13335000 0.82 CCR2 (0.53) CCR2KCNH2CCR5
SCHEMBL13335001 0.81 CCR2 (0.53) CCR2KCNH2CCR5
Hydrochloric Acid SCHEMBL3327119 0.81 CCR2 (0.52) CCR2KCNH2CCR5
Hydrochloric Acid SCHEMBL3327112 0.81 CCR2 (0.52) CCR2KCNH2CCR5
SCHEMBL4154279 0.79 CCR2 (0.50) CCR2KCNH2CCR5
SCHEMBL3324428 0.79 CCR2 (0.66) CCR2KCNH2CCR5
SCHEMBL3324424 0.79 CCR2 (0.66) CCR2KCNH2CCR5

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-7700624-B2 3-aminocyclopentanecrboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2010-04-20 US disclosed
US-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors INCYTE CORPORATION 2007-06-28 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-20070149532-A1 3-Aminocyclopentanecarboxamides as Modulators of Chemokine Receptors CCR5, CCR2, ACKR3 CCR2 2/4885KCNH2 3609/4885CCR5 1/4885

“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.