SCHEMBL4859778

SCHEMBL4859778

O=C(c1ccccn1)N1CCC(c2cn(Cc3ccc(F)cc3)c3ccccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
SLC5A1 P13866 1/20 0.48
SLC5A2 P31639 1/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX12 P18054 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
CNR2 P34972 2/20 0.46
LMNA P02545 1/20 0.45
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL5206637 0.81 LMNA (0.44) LMNAMEN1KMT2A
SCHEMBL27494197 0.78 ALDH1A1 (0.59) SLC2A1SLC5A1SLC5A2ALDH1A1ALOX12
SCHEMBL3615414 0.77 SLC2A1 (0.64) SLC2A1SLC5A1SLC5A2ALDH1A1ALOX12
SCHEMBL5206733 0.76 SCD5 (0.47) SLC2A1SLC5A1SLC5A2ALDH1A1LMNA
SCHEMBL4853409 0.76 SLC2A1 (0.50) SLC2A1SLC5A1SLC5A2ALDH1A1NPSR1
SCHEMBL5203757 0.76 NPC1 (0.57) SLC2A1ALDH1A1HTR6MEN1KMT2A
SCHEMBL3605157 0.75 SLC2A1 (0.53) SLC2A1SLC5A1SLC5A2ALDH1A1ALOX12
SCHEMBL20431459 0.74 SLC2A1 (0.57) SLC2A1SLC5A1SLC5A2ALDH1A1ALOX12
SCHEMBL3598410 0.74 SMO (0.54) SLC2A1SLC5A1SLC5A2ALDH1A1ALOX12
SCHEMBL5204138 0.74 MGLL (0.49) SLC2A1ALDH1A1CNR2HTR6MAPT

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
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 SLC2A1 3979/4885SLC5A1 4306/4885SLC5A2 4120/4885

“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.