SCHEMBL4153813

SCHEMBL4153813

COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 19/20 0.78
▸ CCR5 P51681 11/20 0.78
▸ KCNH2 Q12809 6/20 0.69
▸ CCR1 P32246 1/20 0.62
▸ TMEM97 Q5BJF2 1/20 0.62
▸ SIGMAR1 Q99720 1/20 0.62

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
SCHEMBL4299192 0.91 CCR2 (0.70) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL3325663 0.90 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL14011030 0.90 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL18259123 0.90 CCR2 (0.77) CCR2CCR5KCNH2
SCHEMBL4141218 0.88 CCR2 (0.64) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL6015055 0.88 CCR2 (0.64) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL13741551 0.88 CCR2 (0.64) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL4102147 0.88 CCR2 (0.80) CCR2CCR5KCNH2CCR1TMEM97
SCHEMBL4138164 0.87 CCR2 (1.00) CCR2CCR5KCNH2
SCHEMBL13613397 0.87 CCR2 (1.00) CCR2CCR5KCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US claimed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-8563582-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-10-22 — — US disclosed
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
US-7618970-B2 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION (US) 2009-11-17 — — US disclosed
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 — — US disclosed
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2009-08-20 — — US disclosed
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 — — 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 (2 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 CCR2 4/4885CCR5 1/4885KCNH2 3779/4885
US-20090208485-A1 3-AMINOCYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS CCR5, ACKR3, CXCR3 CCR2 4/4885CCR5 1/4885KCNH2 3779/4885

“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.

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