SCHEMBL8233166

SCHEMBL8233166

Clc1ccc(C(=C2CCN(CC3CCNC=N3)CC2)c2ccccn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.53
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRD1 P41143 5/20 0.42
KCNH2 Q12809 4/20 0.42
OPRM1 P35372 3/20 0.42
DRD4 P21917 6/20 0.36
DRD2 P14416 4/20 0.36
TLR7 Q9NYK1 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
OPRK1 P41145 1/20 0.34
MCHR1 Q99705 2/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL12781730 0.84 PTAFR (0.58) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL6583543 0.76 OPRD1 (0.62) PTAFRFNTAFNTBMEN1KMT2A
Cycliramine SCHEMBL2109915 0.74 MEN1 (0.82) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL6785728 0.70 PTAFR (0.53) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL6779286 0.69 PTAFR (0.52) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL6781672 0.69 PTAFR (0.52) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL8311278 0.67 MEN1 (0.53) PTAFRFNTAFNTBMEN1KMT2A
Cycliramine SCHEMBL634920 0.67 MEN1 (1.00) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL8320712 0.67 PTAFR (0.53) PTAFRFNTAFNTBMEN1KMT2A
SCHEMBL8313654 0.65 OPRD1 (0.64) PTAFRFNTAFNTBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713780-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-01-18 EP disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7355042-B2 Treatment of CNS disorders using CNS target modulators HYPNION, INC. (US) 2008-04-08 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (3 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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA PTAFR 1351/4885FNTA 3806/4885FNTB 3130/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 PTAFR 978/4885FNTA 3503/4885FNTB 2784/4885
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase GLS2, GLS, GLUL PTAFR 1715/4885FNTA 1253/4885FNTB 2322/4885

“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.