SCHEMBL4010453

SCHEMBL4010453

CCN(CC)CCOc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.57
KCNH2 Q12809 2/20 0.51
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP19A1 P11511 3/20 0.46
BIRC5 O15392 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDR P35968 1/20 0.43
HSPB1 P04792 3/20 0.43
ALK Q9UM73 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 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
SCHEMBL4987868 0.93 S1PR4 (0.56) S1PR4KCNH2ATML3MBTL1CYP19A1
SCHEMBL1642018 0.86 S1PR4 (0.60) S1PR4KCNH2CYP19A1LMNAKMT2A
SCHEMBL3859288 0.85 KCNH2 (0.52) S1PR4KCNH2ATML3MBTL1CYP19A1
SCHEMBL3858494 0.84 MAPT (0.63) S1PR4KCNH2ATML3MBTL1BIRC5
SCHEMBL4015134 0.84 MAPT (0.53) KCNH2ATML3MBTL1CYP19A1BIRC5
SCHEMBL3861829 0.84 ALDH1A1 (0.53) S1PR4KCNH2ATML3MBTL1CYP19A1
SCHEMBL28514305 0.84 ATM (0.52) KCNH2ATML3MBTL1CYP19A1BIRC5
SCHEMBL4008861 0.83 KCNH2 (0.48) S1PR4KCNH2ATML3MBTL1CYP19A1
SCHEMBL4402735 0.83 S1PR4 (0.62) S1PR4CYP19A1LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL4375344 0.83 ALDH1A1 (0.52) S1PR4KCNH2ATML3MBTL1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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 (1 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R S1PR4 2118/4885KCNH2 4233/4885ATM 2689/4885

“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.