SCHEMBL4014293

SCHEMBL4014293

CC(C)(C)OC(=O)NCCOc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.68
MAPT P10636 8/20 0.52
LMNA P02545 4/20 0.52
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 2/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL360813 0.88 RAB9A (0.60) RAB9AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL7447967 0.86 MEN1 (0.52) RAB9AMAPTHPGDSMN1; SMN2KMT2A
SCHEMBL1667033 0.86 MEN1 (0.52) RAB9AMAPTLMNAHPGDSMN1; SMN2
SCHEMBL29571434 0.85 RAB9A (0.49) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL360325 0.85 RAB9A (0.49) RAB9AMAPTSMN1; SMN2KMT2ANPC1
SCHEMBL31513087 0.84 CA12 (0.49) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL30421933 0.84 RAB9A (0.47) RAB9AMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL15889764 0.84 MAPT (0.55) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL2060325 0.83 CA12 (0.48) RAB9AMAPTLMNASMN1; SMN2KMT2A
SCHEMBL3453194 0.83 IDO1 (0.60) RAB9AMAPTLMNAHPGDSMN1; SMN2

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 RAB9A 2921/4885MAPT 4346/4885LMNA 4261/4885

“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.