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SCHEMBL3351809

SCHEMBL3351809

CN(C)c1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ PROKR1 Q8TCW9 2/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ MC4R P32245 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ HSD11B1 P28845 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ AIMP2 Q13155 1/20 0.31
▸ SPR P35270 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL3355366 0.95 ALDH1A1 (0.32) ALDH1A1PROKR1FPR2MC4RMTNR1B
SCHEMBL3353194 0.95 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2HSD11B1HSD17B10
SCHEMBL3351546 0.93 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2HSD11B1HSD17B10
SCHEMBL3353515 0.92 ALDH1A1 (0.38) ALDH1A1PROKR1FPR2MC4RMTNR1B
SCHEMBL3359312 0.91 PROKR1 (0.34) ALDH1A1PROKR1FPR2HSD17B10
SCHEMBL3355378 0.91 ALDH1A1 (0.32) ALDH1A1PROKR1FPR2HSD11B1
SCHEMBL3353159 0.90 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2HSD11B1HSD17B10
SCHEMBL3353052 0.90 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2MC4RMTNR1B
SCHEMBL13308326 0.90 HSD17B10 (0.33) ALDH1A1HSD17B10L3MBTL1AIMP2ATM
SCHEMBL3353581 0.90 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2MC4RMTNR1B

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
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
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 ALDH1A1 903/4885PROKR1 148/4885FPR2 60/4885

“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.