SCHEMBL6092602

SCHEMBL6092602

O=C(Nc1ccc(OCCNCC2CC2)cc1F)c1c[nH]c2c1C(=O)CCC2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.38
NR4A2 P43354 4/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
CRBN Q96SW2 1/20 0.35
WDR5 P61964 2/20 0.33
HDAC1 Q13547 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
NR4A1 P22736 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6092670 0.90 DHODH (0.42) DHODHNR4A2AXLMERTKCRBN
SCHEMBL6094311 0.89 DHODH (0.43) DHODHNR4A2AXLMERTKCRBN
SCHEMBL6095595 0.88 DHODH (0.40) DHODHNR4A2AXLMERTKCRBN
SCHEMBL6092550 0.87 DHODH (0.39) DHODHNR4A2AXLMERTKCRBN
SCHEMBL6093281 0.86 TP53 (0.38) DHODHLMNANPC1RAB9ASMN1; SMN2
SCHEMBL6094466 0.84 ALDH1A1 (0.40) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL7363435 0.84 DHODH (0.41) DHODHNR4A2LMNAKDM4E
SCHEMBL6095972 0.83 MAPT (0.39) DHODHS1PR4S1PR1S1PR3S1PR5
SCHEMBL6093353 0.83 AXL (0.38) AXLMERTK
SCHEMBL7364226 0.82 TP53 (0.42) DHODHNR4A2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US claimed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US claimed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US claimed
US-7109351-B1 Fused pyrrolecarboxamides; GABA brain receptor ligands NEUROGEN CORPORATION (US) 2006-09-19 US disclosed
US-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands NEUROGEN CORPORATION 2005-01-20 US disclosed
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2003-08-14 US disclosed
US-6515140-B2 Psychological disorders; sleep disorders; anticonvulsants; cognition activators; drug abruse NEUROGEN CORPORATION 2003-02-04 US disclosed
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands NEUROGEN 2001-10-11 US disclosed
US-6211365-B1 BRAIN DISORDERS NEUROGEN CORPORATION 2001-04-03 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 (3 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-20050014939-A1 Fused pyrrolecarboxamides: GABA brain receptor ligands GABRB2, GABRB1, GABRB3 DHODH 972/4885NR4A2 299/4885AXL 2155/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 DHODH 2483/4885NR4A2 246/4885AXL 1056/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 DHODH 2537/4885NR4A2 234/4885AXL 1001/4885

“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.