SCHEMBL6094985

SCHEMBL6094985

CCN(CC)CCCC(C)NC(=O)COc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.39
FFAR1 O14842 3/20 0.36
AXL P30530 5/20 0.35
MERTK Q12866 4/20 0.35
TYRO3 Q06418 2/20 0.35
MET P08581 2/20 0.35
METAP2 P50579 1/20 0.35
LMNA P02545 1/20 0.34
BUB1 O43683 1/20 0.34
MC4R P32245 1/20 0.34
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MCHR1 Q99705 1/20 0.34
KDM4E B2RXH2 1/20 0.33
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL6094035 0.88 KDR (0.41) KDRFFAR1AXLLMNABUB1
SCHEMBL6093303 0.88 HRH3 (0.37) KDRLMNAALDH1A1MCHR1MEN1
SCHEMBL6095684 0.82 FFAR1 (0.39) KDRFFAR1AXLMERTKTYRO3
SCHEMBL6094231 0.82 AXL (0.38) KDRFFAR1AXLMERTKTYRO3
SCHEMBL6094454 0.80 KCNQ3 (0.42) KDRAXLMETLMNABUB1
SCHEMBL6094495 0.80 FFAR1 (0.45) FFAR1AXLBUB1BRD4
SCHEMBL6092101 0.79 BRD4 (0.39) KDRFFAR1AXLMERTKTYRO3
SCHEMBL6092968 0.78 KDR (0.51) KDRAXLMETMCHR1BRD4
SCHEMBL7399792 0.76 AXL (0.45) KDRAXLALDH1A1BRD4MEN1
SCHEMBL6093901 0.76 KMT2A (0.45) ALDH1A1MCHR1KDM4EKMT2A

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 KDR 2313/4885FFAR1 179/4885AXL 2155/4885
US-20010029299-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDR 3570/4885FFAR1 162/4885AXL 1056/4885
US-20030153754-A1 Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands GABRB1, GABRB3, GABRB2 KDR 3491/4885FFAR1 158/4885AXL 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.