SCHEMBL3034260

SCHEMBL3034260

O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(CC2CC2)CCN(CC2CCOCC2)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.52
▸ CCR5 P51681 14/20 0.52
▸ POLB P06746 1/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CHRM4 P08173 1/20 0.43

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
SCHEMBL3034206 0.86 CCR2 (0.57) CCR2CCR5POLBNPSR1
SCHEMBL3033199 0.85 CCR2 (0.58) CCR2CCR5
SCHEMBL3029819 0.84 CCR2 (0.57) CCR2CCR5POLBNPSR1TSHR
SCHEMBL3033156 0.79 MAP3K12 (0.45) CCR2CCR5
SCHEMBL3029687 0.79 LMNA (0.54) CCR2POLBNPSR1TSHRHTT
SCHEMBL13222953 0.77 LMNA (0.52) POLBNPSR1TSHRHTTL3MBTL1
SCHEMBL1119770 0.74 KCNH2 (0.55) CCR2
Oxalic Acid SCHEMBL10993447 0.73 NPSR1 (0.66) POLBNPSR1HTTCHRM4
SCHEMBL3036595 0.73 CCR2 (0.50) CCR2
SCHEMBL13648724 0.73 NPSR1 (0.75) POLBNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US claimed
US-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE EPIX DELAWARE, INC. (US) 2010-08-19 — — US disclosed
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO 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-20100210633-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE CCR2, CCR1, CCR5 CCR2 1/4885CCR5 3/4885POLB 1921/4885

“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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