SCHEMBL6298916

SCHEMBL6298916

O=C(CCCc1cc(F)ccc1F)[N]Cc1nc2ccccc2n1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ NOS2 P35228 3/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ BRD4 O60885 4/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ GRM2 Q14416 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BAZ2A Q9UIF9 1/20 0.35

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
SCHEMBL5110690 0.87 ENPP2 (0.39) TP53POLBROCK2
SCHEMBL6304439 0.78 GLP1R (0.39) POLBAGTR1AGTR2ROCK2
SCHEMBL5109574 0.75 AGTR1 (0.42) TP53AGTR1AGTR2
SCHEMBL6304821 0.74 PPARG (0.38) TP53AGTR1AGTR2RAB9A
SCHEMBL5100669 0.74 ENPP2 (0.48) TP53GAA
SCHEMBL5103832 0.74 AGTR1 (0.42) TP53AGTR1AGTR2
SCHEMBL6300100 0.73 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL6300107 0.72 AGTR1 (0.41) TP53AGTR1AGTR2
SCHEMBL6298925 0.71 AGTR1 (0.40) TP53AGTR1AGTR2
SCHEMBL5109531 0.70 LMNA (0.40) POLBAGTR1AGTR2BRD4GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 — — EP claimed
JP-2002541151-A — — 2002-12-03 — — JP claimed
EP-1165557-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2002-01-02 — — EP claimed
WO-2000059905-A1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORPORATION (US) 2000-10-12 — — WO claimed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 — — US disclosed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 — — EP disclosed
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION A CORPORATION OF THE STATE OF DELAWARE (US) 2004-02-05 — — US disclosed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 — — US disclosed
US-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-05-15 — — US disclosed
US-6380210-B1 USEFUL IN DIAGNOSIS AND TREATMENT OF ANXIETY, DOWN SYNDROME, SLEEP, COGNITIVE AND SEIZURE DISORDERS, DEPRESSION, OVERDOSE WITH BENZODIAZEPINE DRUGS, AND ENHANCEMENT OF MEMORY AND ALERTNESS NEUROGEN CORPORATION 2002-04-30 — — 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 (2 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-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors GABRA1, GABRB1, GABRA4 TP53 4458/4885POLB 3140/4885AGTR1 208/4885
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors GABRA1, GABRB1, GABRA4 TP53 4458/4885POLB 3140/4885AGTR1 208/4885

“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.

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