SCHEMBL3373963

SCHEMBL3373963

OCc1cnc(CO)n1Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
HTT P42858 1/20 0.61
MAPK1 P28482 2/20 0.56
KMT2A Q03164 1/20 0.52
AGTR1 P30556 2/20 0.51
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL7165398 0.83 POLB (0.63) POLBHTTMAPK1KMT2ACYP2C19
SCHEMBL14005999 0.81 POLB (0.66) POLBHTTMAPK1KMT2ACYP2C19
SCHEMBL3374529 0.80 POLB (0.53) POLBHTTMAPK1KMT2AAGTR1
SCHEMBL2733465 0.80 POLB (0.60) POLBHTTMAPK1KMT2ACYP2C19
SCHEMBL11096851 0.76 POLB (0.52) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL583 0.70 AGTR1 (0.53) AGTR1
SCHEMBL3079356 0.70 CYP11B1 (0.71) POLBHTT
SCHEMBL10639259 0.70 POLB (0.49) POLBHTTMAPK1KMT2AALDH1A1
SCHEMBL5012601 0.69 SMN1; SMN2 (0.41) POLBHTTMAPK1KMT2ACYP2C19
SCHEMBL9597447 0.69 CYP2C19 (0.59) POLBHTTMAPK1KMT2ACYP2C19

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 11 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
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 POLB 2063/4885HTT 4778/4885MAPK1 1627/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 POLB 2063/4885HTT 4778/4885MAPK1 1627/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 POLB 2063/4885HTT 4778/4885MAPK1 1627/4885

“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.