SCHEMBL3352324

SCHEMBL3352324

CC1(C)CN(C(=O)C2CNc3cc(Cl)ccc3O2)CCC1(O)Cc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.42
ATF4 P18848 4/20 0.38
HSD17B10 Q99714 1/20 0.38
CCR1 P32246 5/20 0.35
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TACR1 P25103 2/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3359563 0.86 ADAMTS5 (0.36) ADAMTS5ATF4HSD17B10CCR1TP53
SCHEMBL3353000 0.84 LMNA (0.44) CCR1TP53POLBSMN1; SMN2KMT2A
SCHEMBL3355534 0.81 MCHR1 (0.40) ADAMTS5ATF4TP53POLBSMN1; SMN2
SCHEMBL3355261 0.80 ADAMTS5 (0.42) ADAMTS5ATF4HSD17B10TP53POLB
SCHEMBL3355866 0.79 MCHR1 (0.34) ADAMTS5ATF4TP53POLBSMN1; SMN2
SCHEMBL3356371 0.77 CCR1 (0.38) CCR1TP53POLB
SCHEMBL3358886 0.76 ADAMTS5 (0.40) ADAMTS5ATF4HSD17B10TP53POLB
SCHEMBL3359150 0.76 ADAMTS5 (0.40) ADAMTS5ATF4HSD17B10
SCHEMBL3359475 0.75 DRD2 (0.34) ADAMTS5ATF4
SCHEMBL3354266 0.72 AIMP2 (0.49) ADAMTS5ATF4KMT2A

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 9 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
EP-2659909-A2 Photodynamic therapy for the treatment of acne QLT Inc. (CA) 2013-11-06 EP 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
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-20100056982-A1 Photodynamic therapy for the treatment of acne QLT INC. (CA) 2010-03-04 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 (2 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-20100056982-A1 Photodynamic therapy for the treatment of acne PPOX, PPARG, PORCN ADAMTS5 2139/4885ATF4 2665/4885HSD17B10 1079/4885
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 ADAMTS5 2540/4885ATF4 2359/4885HSD17B10 2068/4885

“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.