SCHEMBL3378097

SCHEMBL3378097

CCCCOC(=O)N1CCCCC1c1ccc(CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 6/20 0.51
SIGMAR1 Q99720 6/20 0.51
FKBP1A P62942 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
CFB P00751 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL12478146 0.87 TMEM97 (0.49) TMEM97SIGMAR1L3MBTL1HSD17B10MAPT
SCHEMBL22721972 0.87 TMEM97 (0.56) TMEM97SIGMAR1FKBP1AL3MBTL1NPC1
SCHEMBL29540420 0.87 TMEM97 (0.56) TMEM97SIGMAR1FKBP1AL3MBTL1NPC1
SCHEMBL31421713 0.83 LMNA (0.47) TMEM97SIGMAR1L3MBTL1HSD17B10MAPT
SCHEMBL1653726 0.81 GPR119 (0.47) TMEM97SIGMAR1L3MBTL1MAPTNPC1
SCHEMBL31421732 0.80 ALDH1A1 (0.44) TMEM97SIGMAR1MAPTKMT2ASMN1; SMN2
SCHEMBL30611182 0.79 LMNA (0.57) L3MBTL1MAPTNPC1RAB9AKMT2A
SCHEMBL3666059 0.77 RIPK1 (0.44) TMEM97SIGMAR1CFBSMN1; SMN2
SCHEMBL1653816 0.77 RIPK1 (0.49) L3MBTL1MAPTNPC1KMT2A
SCHEMBL16401372 0.76 TMEM97 (0.48) TMEM97SIGMAR1CFBTP53KMT2A

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 12 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
CN-1980916-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2007-06-13 CN 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 TMEM97 346/4885SIGMAR1 178/4885FKBP1A 3806/4885
US-20040171638-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 TMEM97 346/4885SIGMAR1 178/4885FKBP1A 3806/4885
US-20030028022-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR3, CCR2 TMEM97 346/4885SIGMAR1 178/4885FKBP1A 3806/4885

“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.