SCHEMBL5481153

SCHEMBL5481153

CC(O)c1cnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CASR P41180 1/20 0.38
ADAMTS7 Q9UKP4 1/20 0.38
HDAC1 Q13547 1/20 0.37
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
MGLL Q99685 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
SCHEMBL5481385 1.00 PKM (0.47) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL5487652 1.00 PKM (0.47) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL5490040 0.87 PKM (0.44) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL5477475 0.81 PKM (0.44) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL5477483 0.81 PKM (0.44) PKMNPC1RAB9AMEN1ALDH1A1
Alcohol SCHEMBL5711709 0.76 NOTUM (0.46) ALDH1A1MAPTSMN1; SMN2HSD17B10CASR
SCHEMBL2893451 0.73 GRM5 (0.47) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL2893177 0.73 GRM5 (0.47) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL2893471 0.73 GRM5 (0.47) PKMNPC1RAB9AMEN1ALDH1A1
SCHEMBL15577228 0.73 PKM (0.56) PKMNPC1RAB9AMEN1ALDH1A1

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
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 PKM 1538/4885NPC1 1874/4885RAB9A 2912/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 PKM 990/4885NPC1 2690/4885RAB9A 1882/4885

“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.