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SCHEMBL3359563

SCHEMBL3359563

CC1(C)CN(C(=O)CC2CNc3cc(Cl)ccc3O2)CCC1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.36
▸ HSD11B1 P28845 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CCR1 P32246 4/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ ATF4 P18848 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32

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
SCHEMBL3352324 0.86 ADAMTS5 (0.42) ADAMTS5TP53POLBSMN1; SMN2CCR1
SCHEMBL3355534 0.85 MCHR1 (0.40) ADAMTS5TP53POLBSMN1; SMN2MCHR1
SCHEMBL3355866 0.83 MCHR1 (0.34) ADAMTS5TP53POLBSMN1; SMN2MCHR1
SCHEMBL3359475 0.79 DRD2 (0.34) ADAMTS5MCHR1ATF4
SCHEMBL3353000 0.73 LMNA (0.44) TP53POLBSMN1; SMN2CCR1KMT2A
SCHEMBL3355815 0.71 CYP19A1 (0.36) ADAMTS5ATF4MEN1KMT2AALDH1A1
SCHEMBL3354070 0.71 USP2 (0.44) ADAMTS5TP53POLBSMN1; SMN2ATF4
SCHEMBL3354165 0.70 DRD2 (0.49) —
SCHEMBL3354901 0.69 CYP19A1 (0.38) ADAMTS5TP53POLBSMN1; SMN2ATF4
SCHEMBL3355261 0.68 ADAMTS5 (0.42) ADAMTS5TP53POLBSMN1; SMN2ATF4

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
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
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 ADAMTS5 2540/4885HSD11B1 945/4885TP53 4556/4885

“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.