SCHEMBL5660976

SCHEMBL5660976

O=C(O)N1C(=O)OC[C@@H]1c1cc(F)c(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC5 Q9UQL6 1/20 0.31
QPCT Q16769 2/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL8005453 1.00 ALDH1A1 (0.32) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6961509 0.86 RIPK1 (0.37) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5659497 0.86 RIPK1 (0.37) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6227914 0.85 MTOR (0.37) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6082708 0.85 MTOR (0.37) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5660885 0.85 MTOR (0.37) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL6966417 0.79 MTOR (0.39) ALDH1A1GAAHTTHPGD
SCHEMBL3915731 0.78 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915734 0.78 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL15716109 0.73 CCR2 (0.44) ALDH1A1GAAHTTNPC1LMNA

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
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MARZABADI MOHAMMAD R 2007-02-22 US disclosed
US-7067534-B1 Substituted anilinic piperidines as MCH selective antagonists H. LUNDBECK A/S (DK) 2006-06-27 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2003-04-24 US 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 (4 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-20030082623-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885GAA 1162/4885HTT 136/4885
US-20070043080-A1 Substituted anilinic piperidines as MCH selective antagonists MCHR1, MCHR2, MC1R ALDH1A1 620/4885GAA 1169/4885HTT 107/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 1449/4885GAA 1029/4885HTT 210/4885
US-20030077701-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ALDH1A1 2076/4885GAA 1162/4885HTT 136/4885

“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.