SCHEMBL6304622

SCHEMBL6304622

CCCNCCOc1ccc(C(=O)N(CCC(C)C)Cc2nc3ccc(Cl)cc3n2CCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.43
▸ CNR2 P34972 7/20 0.42
▸ CNR1 P21554 3/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ BCHE P06276 4/20 0.40
▸ ACHE P22303 1/20 0.40
▸ MC5R P33032 2/20 0.40
▸ MC3R P41968 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MC1R Q01726 1/20 0.39

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
SCHEMBL6636326 0.86 CYP1A2 (0.40) CNR2CNR1OPRM1CYP1A2CYP3A4
SCHEMBL6304731 0.75 CNR2 (0.41) CNR2CNR1OPRM1CYP1A2CYP3A4
SCHEMBL6636404 0.75 ACHE (0.40) CNR2CNR1OPRM1CYP1A2CYP3A4
SCHEMBL6636407 0.70 CYP1A2 (0.39) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6297873 0.69 BCHE (0.35) MC4RCNR2CNR1OPRM1BCHE
SCHEMBL14266707 0.68 AGTR1 (0.39) SMN1; SMN2
SCHEMBL6639368 0.65 TP53 (0.38) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13124057 0.65 MC4R (0.83) MC4RMC5RMC3RMC1R
SCHEMBL14394690 0.64 MC4R (0.71) MC4RMC5RMC3RMC1R
SCHEMBL11891237 0.62 MC4R (0.86) MC4RMC5RMC3RMC1R

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 6 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-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 (1 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 MC4R 1297/4885CNR2 91/4885CNR1 41/4885

“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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