SCHEMBL3354632

SCHEMBL3354632

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)C1COc2cc(Cl)ccc2O1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.53
FPR3 P25089 1/20 0.49
GPR65 Q8IYL9 1/20 0.49
GPR35 Q9HC97 1/20 0.49
AIMP2 Q13155 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
ENPP2 Q13822 6/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL3354640 1.00 CCR1 (0.53) CCR1FPR3GPR65GPR35AIMP2
SCHEMBL3354978 0.91 CCR1 (0.50) CCR1FPR3GPR65GPR35AIMP2
SCHEMBL3354989 0.91 CCR1 (0.50) CCR1FPR3GPR65GPR35AIMP2
SCHEMBL3353673 0.89 KMT2A (0.56) CCR1AIMP2TSHRKMT2A
SCHEMBL3354703 0.89 KMT2A (0.56) CCR1AIMP2TSHRKMT2A
SCHEMBL3353758 0.85 CCR1 (0.53) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL3353757 0.85 CCR1 (0.53) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL3359550 0.84 AIMP2 (0.67) AIMP2TSHRKMT2A
SCHEMBL3352309 0.84 CCR1 (0.52) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL3352302 0.84 CCR1 (0.52) CCR1FPR3GPR65GPR35PTGDR2

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
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 claimed
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
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
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 CCR1 1/4885FPR3 59/4885GPR65 44/4885

“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.