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SCHEMBL3354931

SCHEMBL3354931

COc1cc2c(cc1Cl)NCC(C(=O)N1CCC(Cc3ccc(F)cc3)(Cn3ccnc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.35
▸ CCR1 P32246 1/20 0.34
▸ QPCT Q16769 2/20 0.33
▸ CYP17A1 P05093 3/20 0.33
▸ CYP21A2 P08686 3/20 0.33
▸ CYP11B1 P15538 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP7A1 P22680 1/20 0.33
▸ SHMT2 P34897 1/20 0.33
▸ WDR5 P61964 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MELK Q14680 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL3355355 0.87 KMT2A (0.39) CCR1SHMT2LMNAPOLB
SCHEMBL13330864 0.83 ALDH1A1 (0.39) CCR1SHMT2LMNAMGLL
SCHEMBL3358694 0.83 PDE4A (0.35) CYP19A1QPCTCYP17A1CYP21A2CYP11B1
SCHEMBL3354939 0.82 CCR1 (0.37) CCR1SHMT2LMNAMGLL
SCHEMBL3356896 0.80 ALDH1A1 (0.51) LMNAPOLB
SCHEMBL3353168 0.79 CCR1 (0.35) CCR1SHMT2LMNAMGLL
SCHEMBL3358091 0.76 PDE4A (0.35) CYP3A4LMNANPC1PDE4BPDE4D
SCHEMBL13330902 0.76 CYP19A1 (0.33) CYP19A1
SCHEMBL3356292 0.75 KMT2A (0.39) LMNANPC1POLB
SCHEMBL3353141 0.75 ALDH1A1 (0.32) CCR1CYP3A4SHMT2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US claimed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 CYP19A1 1449/4885CCR1 1/4885QPCT 3462/4885

“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.