SCHEMBL3782885

SCHEMBL3782885

COCC1(C(=O)N2CC(c3cc(C(F)(F)F)ccn3)C2)CCN(Cc2ccc3oc(=O)n(C)c3c2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.36
▸ CYP3A4 P08684 10/20 0.36
▸ CYP2D6 P10635 8/20 0.36
▸ TSHR P16473 8/20 0.36
▸ USP2 O75604 7/20 0.36
▸ BTK Q06187 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ HIF1A Q16665 3/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ CHRM4 P08173 1/20 0.33

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
SCHEMBL3782971 0.88 CCR2 (0.47) CCR2CHRM4
SCHEMBL13011569 0.82 SLC6A9 (0.36) CCR2CYP3A4CYP2D6TSHRUSP2
SCHEMBL1119320 0.82 SLC6A9 (0.36) CCR2CYP3A4CYP2D6TSHRUSP2
SCHEMBL1119889 0.82 CCR2 (0.36) CCR2CYP3A4CYP2D6TSHRUSP2
SCHEMBL13011667 0.81 CCR2 (0.39) CCR2CYP3A4
SCHEMBL1120068 0.81 CCR2 (0.39) CCR2CYP3A4
SCHEMBL13011668 0.81 CCR2 (0.39) CCR2CYP3A4
SCHEMBL13043838 0.78 CCR2 (0.34) CCR2
SCHEMBL3784211 0.78 KCNH2 (0.36) CCR2CYP3A4CYP2D6TSHRUSP2
SCHEMBL3746921 0.77 CYP3A4 (0.35) CYP3A4CYP2D6TSHRUSP2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US claimed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
US-20100331298-A1 Carboxamide Compounds and Their Use CYTOPATHFINDER, INC. (JP) 2010-12-30 — — US disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — WO disclosed
WO-2009076404-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2009-06-18 — — 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-20100331298-A1 Carboxamide Compounds and Their Use CCR2, CCR1, CCR5 CCR2 1/4885CYP3A4 1097/4885CYP2D6 1241/4885

“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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