SCHEMBL6304818

SCHEMBL6304818

CCCC(=O)N(Cc1nc2c(F)cccc2n1CCC)c1cc(F)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.37
▸ PTGDR2 Q9Y5Y4 4/20 0.35
▸ PCSK9 Q8NBP7 1/20 0.35
▸ TSPO P30536 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ CNR1 P21554 4/20 0.34
▸ TP53 P04637 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ OPRM1 P35372 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
SCHEMBL6299929 0.87 LTB4R2 (0.44) PPARGPTGDR2TSPOCNR2TP53
SCHEMBL5103828 0.80 AGTR1 (0.40) PTGDR2CNR2CNR1
SCHEMBL6300098 0.80 AGTR1 (0.42) PTGDR2
SCHEMBL6300102 0.78 AGTR1 (0.39) PTGDR2CNR2CNR1
SCHEMBL6298922 0.78 AGTR1 (0.38) PTGDR2
SCHEMBL6298913 0.76 TP53 (0.39) KDM4EALDH1A1CNR2CNR1TP53
SCHEMBL5110687 0.70 TP53 (0.44) TP53
SCHEMBL6299930 0.68 PPARG (0.40) PPARGTSPOCNR2
SCHEMBL6298905 0.67 CNR2 (0.48) CNR2CNR1OPRM1
SCHEMBL6635073 0.67 LTB4R2 (0.43) PTGDR2TP53OPRM1

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 7 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
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 PPARG 847/4885PTGDR2 437/4885PCSK9 4565/4885
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors GABRA1, GABRB1, GABRA4 PPARG 847/4885PTGDR2 437/4885PCSK9 4565/4885

“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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