SCHEMBL4184898

SCHEMBL4184898

O=C1CCC(=O)N1Cc1ccc(F)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
FAAH O00519 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
PARP1 P09874 1/20 0.43
MAOB P27338 3/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GRM2 Q14416 2/20 0.40
ADORA2A P29274 1/20 0.40
KMT2A Q03164 2/20 0.40
KCNH2 Q12809 2/20 0.39
CLPP Q16740 1/20 0.39
GRM6 O15303 1/20 0.39
NR1I2 O75469 1/20 0.39

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
SCHEMBL6446921 0.84 CA1 (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL7933724 0.80 CA12 (0.49) CA12CA1CA2CA9HDAC7
SCHEMBL16897757 0.80 L3MBTL1 (0.53) KDM4EFAAHPARP1MAOBALDH1A1
SCHEMBL3796336 0.76 KMT2A (0.57) KDM4ECA12CA1CA2CA9
SCHEMBL5767794 0.74 CA12 (0.58) KDM4ECA12CA1CA2CA9
SCHEMBL40711 0.74 KMT2A (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL18587769 0.73 MAOB (0.47) KDM4EFAAHPARP1MAOBALDH1A1
SCHEMBL5766288 0.72 SMN1; SMN2 (0.53) KDM4ECA12CA1CA2CA9
SCHEMBL28548456 0.72 CA12 (0.59) KDM4ECA12CA1CA2CA9
SCHEMBL3793071 0.71 KMT2A (0.55) KDM4EALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1996562-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-12-03 EP disclosed
WO-2007104560-A1 SUBSTITUTED 4-AMINO-QUINAZOLINE DERIVATIVES AS REGULATORS OF METABOTROPIC GLUTAMATE RECEPTORS AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-09-20 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 KDM4E 2026/4885CA12 4423/4885CA1 1637/4885

“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.