SCHEMBL682973

SCHEMBL682973

COc1ccc(N2CCN(C(=O)CC(N)=O)CC2)cc1OC(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.50
RAB9A P51151 1/20 0.48
ALK Q9UM73 2/20 0.47
CCR1 P32246 5/20 0.46
CTSB P07858 1/20 0.45
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL683305 0.91 GFER (0.50) GFERRAB9AALKCCR1CTSB
SCHEMBL682968 0.90 GFER (0.49) GFERRAB9AALKCCR1CTSB
SCHEMBL682979 0.82 PDE4B (0.53) GFERRAB9ACTSBCTSSCTSK
SCHEMBL2142877 0.77 NR1H2 (0.43) ALKCCR1KMT2AMEN1
SCHEMBL873991 0.77 NR1H2 (0.43) ALKCCR1KMT2AMEN1
SCHEMBL682544 0.75 PDE4D (0.48) RAB9AALKCTSBCTSSCTSK
SCHEMBL3771993 0.74 LMNA (0.54) GFERCCR1KMT2ALMNAGAA
SCHEMBL873466 0.73 ADRB1 (0.51) ALK
SCHEMBL681899 0.73 PDE4B (0.53) GFERRAB9ACTSBCTSSCTSK
SCHEMBL2139373 0.73 HIF1A (0.41) ALKCCR1CTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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 (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-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D GFER 3906/4885RAB9A 1524/4885ALK 3664/4885

“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.