SCHEMBL1441103

SCHEMBL1441103

O=C1CNCCN1Cc1cc(-c2ccccc2)no1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
NOTUM Q6P988 2/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DRD2 P14416 4/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
IGF1R P08069 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
SCHEMBL12017155 0.84 IL4I1 (0.38) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL1441587 0.84 MAPT (0.42) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL1441456 0.81 IL4I1 (0.36) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL12420831 0.79 SMN1; SMN2 (0.53) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL7996202 0.74 ENPP2 (0.51) L3MBTL1
SCHEMBL92331 0.74 L3MBTL1 (0.56) MAPTL3MBTL1DRD3
Hydrochloric Acid SCHEMBL4768580 0.72 L3MBTL1 (0.54) MAPTL3MBTL1
Bromide SCHEMBL28426487 0.72 L3MBTL1 (0.54) MAPTL3MBTL1
SCHEMBL6783753 0.70 CYP2E1 (0.55) IL4I1SMN1; SMN2MAPTCA12CA9
SCHEMBL30947922 0.70 IL4I1 (0.96) IL4I1SMN1; SMN2MAPTCA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US claimed
EP-2473488-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY Zalicus Pharmaceuticals Ltd. (CA) 2012-07-11 EP claimed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 WO claimed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1B, SCN1A, CACNA1I IL4I1 2591/4885SMN1; SMN2 314/4885MAPT 3338/4885

“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.