SCHEMBL4138546

SCHEMBL4138546

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

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 19/20 0.61
KCNH2 Q12809 4/20 0.50
CCR5 P51681 2/20 0.50
FFAR4 Q5NUL3 1/20 0.45

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
SCHEMBL4151034 0.90 CCR2 (0.57) CCR2KCNH2CCR5FFAR4
SCHEMBL4138085 0.88 CCR2 (0.60) CCR2KCNH2CCR5FFAR4
SCHEMBL13335034 0.85 CCR2 (0.66) CCR2KCNH2CCR5FFAR4
Hydrochloric Acid SCHEMBL3324564 0.85 CCR2 (0.65) CCR2KCNH2CCR5FFAR4
SCHEMBL3326216 0.84 CCR2 (0.71) CCR2KCNH2CCR5
SCHEMBL15324776 0.83 CCR2 (0.65) CCR2KCNH2CCR5FFAR4
SCHEMBL4154279 0.82 CCR2 (0.50) CCR2KCNH2CCR5FFAR4
SCHEMBL13335032 0.81 CCR2 (0.69) CCR2KCNH2CCR5
SCHEMBL3355268 0.79 CCR2 (0.64) CCR2KCNH2CCR5
SCHEMBL4158814 0.78 CCR2 (0.65) 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-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 CCR2 4/4885KCNH2 3779/4885CCR5 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.