SCHEMBL1398103

SCHEMBL1398103

O=C1NCCC1N1C=Nc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CRBN Q96SW2 6/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
DDB1 Q16531 4/20 0.32
IKZF3 Q9UKT9 2/20 0.32
BCHE P06276 2/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CHRM2 P08172 1/20 0.30
OPRM1 P35372 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5162159 0.84 CRBN (0.58) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1398054 0.82 CRBN (0.44) NPC1HPGDRAB9ASMN1; SMN2CRBN
SCHEMBL1398154 0.76 NPC1 (0.38) NPC1HPGDRAB9ASMN1; SMN2CRBN
Bromide SCHEMBL1398089 0.75 NPC1 (0.38) NPC1HPGDRAB9ASMN1; SMN2CRBN
SCHEMBL28190128 0.74 NPC1 (0.50) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL28229327 0.74 NPC1 (0.44) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL5215086 0.72 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL1398110 0.71 TSHR (0.40) NPC1HPGDRAB9ASMN1; SMN2PDE3B
SCHEMBL5215745 0.69 CRBN (0.50) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL28128653 0.68 NPC1 (0.41) NPC1HPGDRAB9ASMN1; SMN2PDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP claimed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US claimed
EP-1957481-B1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION GRUENENTHAL GMBH (DE) 2011-03-02 EP disclosed
US-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position GRUENENTHAL GMBH (DE) 2008-11-27 US disclosed
EP-1957481-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2008-08-20 EP disclosed
WO-2007062817-A1 PYRROLIDIN(THI)ONES HETEROCYCLICALLY SUBSTITUTED IN 3-POSITION Grünenthal GmbH (DE) 2007-06-07 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-20080293749-A1 Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position TPMT, MALT1, THPO NPC1 4593/4885HPGD 379/4885RAB9A 1269/4885

“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.