SCHEMBL840990

SCHEMBL840990

Cc1nc(OCC(F)(F)F)ncc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTT P42858 2/20 0.39
RBP4 P02753 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
SORT1 Q99523 2/20 0.36
ASPH Q12797 1/20 0.36
CNR2 P34972 1/20 0.36
GABRA5 P31644 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4767378 0.81 HPGD (0.51) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4770846 0.78 RAB9A (0.53) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4763537 0.77 HPGD (0.54) HPGDL3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL25163414 0.77 RXRA (0.43) L3MBTL1KMT2AMEN1CYP1A2CYP2C19
SCHEMBL4767656 0.77 HPGD (0.47) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4765629 0.77 NPC1 (0.63) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4771388 0.76 KDM4E (0.58) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL4765592 0.76 HPGD (0.46) HPGDKDM4ENPC1ALDH1A1RAB9A
SCHEMBL2713685 0.76 L3MBTL1 (0.54) HPGDL3MBTL1KDM4EALDH1A1RAB9A
SCHEMBL4763603 0.76 RAB9A (0.48) HPGDKDM4ENPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158198-B1 N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2013-03-20 EP disclosed
US-20120238579-A1 New Compounds 806 BESIDKI YEVGENI (SE) 2012-09-20 US disclosed
US-8143408-B2 N-(8-heteroaryltetrahydronaphtalene-2yl) or N-(5-heteroarylchromane-3-yl) carboxamide derivatives for the treatment of pain ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2010-06-03 US disclosed
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 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 (2 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-20100137322-A1 NOVEL N-(8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N-(5-HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 HPGD 60/4885L3MBTL1 4778/4885KDM4E 3402/4885
US-20120238579-A1 New Compounds 806 CYP2B6, CYP11B2, NDUFS6 HPGD 224/4885L3MBTL1 4882/4885KDM4E 3026/4885

“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.