SCHEMBL2799145

SCHEMBL2799145

NC(=O)Nc1cc(Cl)ccc1OCCC1(O)CCC(Cc2ccc(F)cc2)N(O)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 14/20 0.50
FPR3 P25089 1/20 0.50
GPR65 Q8IYL9 1/20 0.50
GPR35 Q9HC97 1/20 0.50
CCR5 P51681 2/20 0.39
KCNH2 Q12809 2/20 0.37
MAPT P10636 1/20 0.36
F10 P00742 1/20 0.35
KCNT1 Q5JUK3 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2795770 0.96 CCR1 (0.49) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2798190 0.88 CCR1 (0.48) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2793497 0.87 CCR1 (0.49) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2798421 0.85 CCR1 (0.54) CCR1FPR3GPR65GPR35KCNH2
SCHEMBL2795728 0.84 CCR1 (0.47) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2793004 0.80 CCR1 (0.46) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2796521 0.79 CCR1 (0.41) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2794695 0.78 CCR1 (0.51) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2794398 0.77 CCR1 (0.41) CCR1FPR3GPR65GPR35CCR5
SCHEMBL2796529 0.76 CCR1 (0.40) CCR1FPR3GPR65GPR35CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO claimed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 US claimed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 CCR1 1/4885FPR3 56/4885GPR65 89/4885

“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.