SCHEMBL3352172

SCHEMBL3352172

N#CC1(Cc2ccc(F)cc2)CCN(C(=O)C2CN(C(=O)O)c3cc(Cl)c(OCC(N)=O)cc3O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CDK9 P50750 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
CCR3 P51677 1/20 0.30
MGLL Q99685 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
SCHEMBL3386987 0.91 ALDH1A1 (0.34) ALDH1A1PTGDR2FPR2PROKR1CCR3
SCHEMBL13308228 0.91 MC4R (0.34) ALDH1A1RAB9ALMNAGLASMN1; SMN2
SCHEMBL3387358 0.87 ALDH1A1 (0.37) ALDH1A1RAB9ALMNACDK9FPR2
SCHEMBL3355555 0.86 CCR1 (0.34) ALDH1A1RAB9ALMNASMN1; SMN2FPR2
SCHEMBL3353490 0.86 MC4R (0.34) ALDH1A1PTGDR2FPR2PROKR1MGLL
SCHEMBL3381860 0.86 ALDH1A1 (0.37) ALDH1A1RAB9AFPR2PROKR1
SCHEMBL3355415 0.84 ALDH1A1 (0.35) ALDH1A1RAB9ALMNAGLASMN1; SMN2
SCHEMBL3354423 0.84 LMNA (0.37) ALDH1A1LMNASMN1; SMN2FPR2PROKR1
SCHEMBL3354045 0.84 ALDH1A1 (0.34) ALDH1A1LMNACDK9MGLL
SCHEMBL3355857 0.83 MC4R (0.34) ALDH1A1MGLL

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 2 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 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 903/4885RAB9A 4434/4885LMNA 3702/4885

“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.