SCHEMBL4558124

SCHEMBL4558124

CN1CCN(c2ccc(NC(=O)N3CCC3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.60
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 3/20 0.59
FLT3 P36888 1/20 0.58
CA12 O43570 3/20 0.58
CA2 P00918 3/20 0.58
CA9 Q16790 3/20 0.58
CA1 P00915 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 1/20 0.58
NAMPT P43490 1/20 0.58
ME2 P23368 1/20 0.57
ME1 P48163 1/20 0.57
ME3 Q16798 1/20 0.57
HTR1A P08908 1/20 0.57
HTR1D P28221 1/20 0.57

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
SCHEMBL14372219 0.90 CYP1A2 (0.63) HRH3NPC1RAB9AMAPTCA12
SCHEMBL4559582 0.84 PANK3 (0.60) NPC1RAB9AMAPTCA12CA2
SCHEMBL4560480 0.83 GAA (0.65) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL26758591 0.81 MAPT (0.84) NPC1RAB9AMAPTCA12CA2
SCHEMBL13912 0.81 KMT2A (0.75) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL28106923 0.81 RAB9A (0.70) NPC1RAB9AMAPTKDM4EALDH1A1
SCHEMBL1430921 0.80 RAB9A (0.64) NPC1RAB9ASMN1; SMN2POLBMEN1
SCHEMBL14365697 0.78 RAB9A (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6632925 0.78 CA12 (0.89) NPC1RAB9AMAPTCA12CA2
SCHEMBL13234944 0.78 CA12 (0.89) MAPTCA12CA2CA9CA1

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B HRH3 4094/4885NPC1 3876/4885RAB9A 1318/4885

“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.