SCHEMBL8092890

SCHEMBL8092890

CCCCN(c1nc(Nc2ccc(C)cc2)cc(N(C)C)n1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
TP53 P04637 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
IDO1 P14902 4/20 0.33
JAK3 P52333 2/20 0.33
LCK P06239 1/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
GBA1 P04062 1/20 0.33
POLB P06746 1/20 0.33
CRHR1 P34998 2/20 0.32

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
SCHEMBL3247914 0.87 S1PR1 (0.39) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL3238449 0.82 JAK3 (0.41) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL3246418 0.71 GALR2 (0.44) KDM4E
SCHEMBL3241384 0.70 MAPT (0.40) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL8263174 0.68 MAPT (0.47) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL8262646 0.68 S1PR1 (0.35) SMN1; SMN2NPSR1ALDH1A1LMNACRHR1
SCHEMBL2411151 0.68 TAAR1 (0.58) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL3242774 0.68 MAPT (0.49) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL6788950 0.67 RAB9A (0.34) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL3242653 0.66 GALR2 (0.45) MAPTLMNAGBA1

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
EP-2140862-A2 Use of GAL 3 receptor antagonists for the treatment of depression and /or anxiety and compounds useful in such methods H.Lundbeck A/S (DK) 2010-01-06 EP disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-7220775-B2 Compound useful for the treatment of neuropathic pain H. LUNDBECK A/S (DK) 2007-05-22 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 US disclosed
US-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2004-05-13 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-20040092570-A1 GAL3 antagonists for the treatment of neuropathic pain GALR3, GALR2, GALR1 MAPT 3177/4885TP53 4516/4885SMN1; SMN2 1308/4885

“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.