SCHEMBL5110690

SCHEMBL5110690

O=C(CCCc1cc(F)ccc1F)[N]Cc1nc2cccnc2n1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 6/20 0.39
▸ SCN9A Q15858 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PDE4B Q07343 4/20 0.37
▸ TP53 P04637 3/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ POLB P06746 1/20 0.34

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
SCHEMBL5100669 0.87 ENPP2 (0.48) ENPP2SCN9ACYP3A4PDE4BTP53
SCHEMBL6298916 0.87 TP53 (0.39) TP53ROCK2POLB
SCHEMBL7448494 0.72 ENPP2 (0.61) ENPP2SCN9ACYP3A4TP53MAPT
SCHEMBL6304439 0.71 GLP1R (0.39) ROCK2POLB
SCHEMBL5110687 0.71 TP53 (0.44) ENPP2SCN9ACYP3A4PDE4BTP53
SCHEMBL5109574 0.70 AGTR1 (0.42) TP53
SCHEMBL3066929 0.69 PDE2A (0.38) ENPP2SCN9ACYP3A4PDE4BTP53
SCHEMBL6304821 0.69 PPARG (0.38) TP53
SCHEMBL5103832 0.68 AGTR1 (0.42) TP53THRB
SCHEMBL6300100 0.68 AGTR1 (0.44) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors NEUROGEN CORPORATION (US) 2006-07-20 — — US claimed
US-6972293-B2 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2005-12-06 — — US claimed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 — — EP claimed
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 claimed
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 claimed
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 claimed
US-7348326-B2 Heteroaryl fused aminoalkyl imidazole derivatives: selective modulators of GABAa receptors NEUROGEN CORPORATION (US) 2008-03-25 — — US disclosed
US-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors NEUROGEN CORPORATION (US) 2006-07-20 — — US disclosed
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 (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-20060160842-A1 Heteroaryl fused aminoalkyl imidazole derivates: selective modulators of GABAA receptors GABRB1, GABRA1, GABRB3 ENPP2 2496/4885SCN9A 597/4885CYP3A4 136/4885
US-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors GABRA1, GABRB1, GABRA4 ENPP2 2708/4885SCN9A 614/4885CYP3A4 169/4885
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors GABRA1, GABRB1, GABRA4 ENPP2 2708/4885SCN9A 614/4885CYP3A4 169/4885

“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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