SCHEMBL3373965

SCHEMBL3373965

OCc1cn(Cc2ccccc2)c(CO)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
LMNA P02545 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
TNF P01375 1/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL17375910 0.86 CYP11B1 (0.40) NOTUML3MBTL1CYP11B1CYP11B2MEN1
SCHEMBL11211116 0.85 MAPK1 (0.40) NOTUML3MBTL1CYP11B1CYP11B2MEN1
SCHEMBL10591397 0.81 TNF (0.45) NOTUML3MBTL1POLBTSHRLMNA
SCHEMBL3374530 0.80 ALDH1A1 (0.49) NOTUML3MBTL1TSHRLMNAAGTR1
SCHEMBL17375925 0.77 MAPT (0.47) L3MBTL1MEN1KMT2AGAA
SCHEMBL27749451 0.77 TLR8 (0.47) L3MBTL1CYP11B1CYP11B2MEN1KMT2A
SCHEMBL9256717 0.76 BRD4 (0.52) TSHRGAAPKM
Hydrochloric Acid SCHEMBL10507246 0.72 TLR8 (0.43) NOTUML3MBTL1CYP11B1CYP11B2MEN1
SCHEMBL9255665 0.71 ALDH1A1 (0.56) MEN1KMT2ATSHRLMNAGAA
SCHEMBL20742035 0.71 TLR8 (0.38) CYP11B1CYP11B2POLBSIGMAR1TNF

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1752455-B1 Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2010-11-10 EP disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
US-7807694-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2010-10-05 US disclosed
EP-1752455-A2 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2007-02-14 EP disclosed
US-20060252795-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-11-09 US disclosed
US-7091217-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2006-08-15 US disclosed
EP-1317451-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-08-09 EP disclosed
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-09-02 US disclosed
US-6734191-B2 PREFERABLY TERTIARY AMINES COMPRISING TETRAHYDROQUINOLINE AND BENZIMIDAZOLE; USE TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) AND FELINE IMMUNODEFICIENCY VIRUS (FIV) ANORMED, INC. (CA) 2004-05-11 US disclosed
EP-1317451-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-02-06 US disclosed
WO-2002034745-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-05-02 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 (3 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-20060252795-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOTUM 2953/4885L3MBTL1 4394/4885CYP11B1 577/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOTUM 2953/4885L3MBTL1 4394/4885CYP11B1 577/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 NOTUM 2953/4885L3MBTL1 4394/4885CYP11B1 577/4885

“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.