SCHEMBL4660469

SCHEMBL4660469

COc1ccc(CCCCOc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.65
KCNJ1 P48048 1/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL29151310 0.91 KCNH2 (0.63) KCNH2KCNJ1ALDH1A1KMT2AMAPT
SCHEMBL4611785 0.85 DRD2 (0.62) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8789805 0.84 KCNH2 (0.83) KCNH2KCNJ1ALDH1A1MEN1KMT2A
SCHEMBL4610926 0.84 DRD2 (0.61) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL9846629 0.83 MAPT (0.54) KCNH2KCNJ1ALDH1A1MEN1KMT2A
SCHEMBL358712 0.83 KCNH2 (0.54) KCNH2KCNJ1ALDH1A1MAPTRAB9A
SCHEMBL10651178 0.81 MAOB (0.68) KCNH2KCNJ1ALDH1A1MEN1KMT2A
SCHEMBL10556391 0.81 HRH3 (0.69) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL9570561 0.81 HRH3 (0.69) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL10554981 0.81 HRH3 (0.69) KCNH2ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981837-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Incorporated (US) 2008-10-22 EP disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
WO-2007092190-A2 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2007-08-16 WO disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
EP-1781595-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY Praecis Pharmaceuticals Inc. (US) 2007-05-09 EP disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 US disclosed
WO-2006020951-A1 METHODS AND COMPOSITIONS FOR MODULATING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ACTIVITY PRAECIS PHARMACEUTICALS, INC. (US) 2006-02-23 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KCNH2 2965/4885KCNJ1 3154/4885ALDH1A1 3708/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KCNH2 2965/4885KCNJ1 3154/4885ALDH1A1 3708/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KCNH2 2965/4885KCNJ1 3154/4885ALDH1A1 3708/4885

“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.