SCHEMBL3779367

SCHEMBL3779367

COCC1(C(=O)N2CC(c3cc(C(F)(F)F)ccn3)C2)CCNC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.41
▸ MAP3K12 Q12852 4/20 0.39
▸ BTK Q06187 2/20 0.39
▸ CCR5 P51681 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL13806570 0.90 CCR2 (0.36) CCR2MAP3K12BTKSYKPIM1
SCHEMBL3786379 0.82 CCR2 (0.42) CCR2MAP3K12BTKCCR5FFAR4
SCHEMBL13018958 0.80 SYK (0.42) CCR2MAP3K12BTKSYKTACR1
SCHEMBL3788239 0.73 MAP3K12 (0.47) MAP3K12SYKHRH3TACR1
SCHEMBL1119338 0.72 CCR2 (0.47) CCR2KCNH2
SCHEMBL3782885 0.71 CCR2 (0.36) CCR2BTKPIM1
SCHEMBL20743055 0.71 MAP3K12 (0.44) MAP3K12
Trifluoroacetic Acid SCHEMBL1119773 0.70 CCR2 (0.45) CCR2KCNH2
SCHEMBL20743116 0.69 JAK2 (0.44) MAP3K12
SCHEMBL13806857 0.67 PDE4A (0.39) CCR5SYK

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 5 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 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 1/4885MAP3K12 1329/4885BTK 1555/4885

“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.

Send feedback