SCHEMBL5109494

SCHEMBL5109494

CCCN(Cc1nc2cc(CO[Si](C)(C)C(C)(C)C)ccc2n1CCC)C(=O)c1cc(F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 10/20 0.38
▸ AGTR1 P30556 1/20 0.36
▸ AGTR2 P50052 1/20 0.36
▸ CNR2 P34972 8/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ BCHE P06276 1/20 0.34
▸ F2 P00734 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
SCHEMBL6304715 0.83 SMO (0.40) TBXA2RAGTR1AGTR2CNR2CNR1
SCHEMBL14266707 0.78 AGTR1 (0.39) TBXA2RAGTR1AGTR2F2
SCHEMBL5103560 0.73 CNR2 (0.39) TBXA2RCNR2CNR1
SCHEMBL7246248 0.73 TP53 (0.38) CNR2CNR1F2
SCHEMBL6634370 0.70 ALDH1A1 (0.47) —
SCHEMBL5110851 0.70 MAPT (0.36) CNR2CNR1F2
SCHEMBL7450159 0.69 KDM4E (0.34) —
SCHEMBL14266715 0.67 CNR2 (0.49) AGTR1AGTR2CNR2CNR1BCHE
SCHEMBL5103828 0.66 AGTR1 (0.40) TBXA2RAGTR1AGTR2CNR2CNR1
SCHEMBL6300098 0.66 AGTR1 (0.42) TBXA2RAGTR1AGTR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TBXA2R 190/4885AGTR1 261/4885AGTR2 368/4885
US-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors GABRA1, GABRB1, GABRA4 TBXA2R 274/4885AGTR1 208/4885AGTR2 331/4885
US-20040023993-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa receptors GABRA1, GABRB1, GABRA4 TBXA2R 274/4885AGTR1 208/4885AGTR2 331/4885

“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.

Send feedback