SCHEMBL6297869

SCHEMBL6297869

CCCn1c(CN2C(CC(C)CC(N)=O)=CSC2C)nc2ccc(Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ACSS2 Q9NR19 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ GLP1R P43220 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30

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
SCHEMBL6297876 0.66 ALDH1A1 (0.37) SMN1; SMN2ACSS2MEN1KMT2AALDH1A1
SCHEMBL7508681 0.60 KMT2A (0.57) ACSS2MEN1KMT2APPARGPKM
SCHEMBL6297873 0.60 BCHE (0.35) SMN1; SMN2KMT2AALDH1A1PKMNPC1
SCHEMBL7508672 0.59 ACSS2 (0.45) ACSS2MEN1KMT2AALDH1A1NPC1
SCHEMBL3067973 0.59 NPC1 (0.46) SMN1; SMN2ACSS2PPARGALDH1A1GRM2
SCHEMBL13089815 0.58 GRM5 (0.41) PPARGGRM2GRM5PDE10A
SCHEMBL3049922 0.58 GRM5 (0.39) PPARGGRM2GRM5PDE10A
SCHEMBL3062898 0.58 GRM5 (0.43) GRM2GLP1RGRM5
SCHEMBL2020767 0.57 ACSS2 (0.54) SMN1; SMN2ACSS2KMT2ANPC1
SCHEMBL14266707 0.57 AGTR1 (0.39) SMN1; SMN2PPARGALDH1A1PKMGRM5

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 SMN1; SMN2 2751/4885ACSS2 1658/4885MEN1 4644/4885

“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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