SCHEMBL3354547

SCHEMBL3354547

Cn1nccc1-c1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MC4R P32245 2/20 0.33
PROKR1 Q8TCW9 2/20 0.33
FPR2 P25090 1/20 0.33
HTR2A P28223 4/20 0.32
SPR P35270 1/20 0.32
AKT1 P31749 1/20 0.31
HTR2C P28335 2/20 0.31
IDH1 O75874 1/20 0.31
USP7 Q93009 1/20 0.31
ATF4 P18848 1/20 0.31
HCRTR1 O43613 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
SCHEMBL3355662 0.89 MC4R (0.41) ALDH1A1MC4RSPR
SCHEMBL3353515 0.88 ALDH1A1 (0.38) ALDH1A1MC4RPROKR1FPR2SPR
SCHEMBL3355975 0.87 CYP46A1 (0.37) ALDH1A1PROKR1FPR2
SCHEMBL3359143 0.87 ALDH1A1 (0.35) ALDH1A1PROKR1FPR2
SCHEMBL3356144 0.86 ALDH1A1 (0.38) ALDH1A1PROKR1FPR2SPRAKT1
SCHEMBL3352890 0.86 ALDH1A1 (0.36) ALDH1A1PROKR1FPR2HTR2AHTR2C
SCHEMBL3353052 0.86 ALDH1A1 (0.35) ALDH1A1MC4RPROKR1FPR2SPR
SCHEMBL3352935 0.85 ALDH1A1 (0.39) ALDH1A1AKT1HCRTR1
SCHEMBL3355404 0.85 ALDH1A1 (0.34) ALDH1A1PROKR1FPR2SPR
SCHEMBL3351431 0.85 ALDH1A1 (0.34) ALDH1A1

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 6 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
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

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 903/4885MC4R 1326/4885PROKR1 148/4885

“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.