SCHEMBL16144652

SCHEMBL16144652

Cc1ccc2c(c1)C(c1ccccc1Cl)=NCC(=O)N2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.77
GABRA5 P31644 8/20 0.77
GABRA3 P34903 8/20 0.77
GABRA2 P47869 7/20 0.77
GABRB2 P47870 6/20 0.77
GABRG2 P18507 6/20 0.77
GABRB3 P28472 6/20 0.77
GABRP O00591 3/20 0.77
GABRD O14764 3/20 0.77
GABRB1 P18505 3/20 0.77
GABRA4 P48169 3/20 0.77
GABRE P78334 3/20 0.77
GABRA6 Q16445 3/20 0.77
GABRG1 Q8N1C3 3/20 0.77
GABRG3 Q99928 3/20 0.77
GABRQ Q9UN88 3/20 0.77
ADRA1A P35348 2/20 0.67
LMNA P02545 1/20 0.59
CNR1 P21554 1/20 0.56
NTSR1 P30989 1/20 0.56

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
Delorazepam SCHEMBL157332 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Delorazepam SCHEMBL29375434 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Delorazepam SCHEMBL32681132 0.87 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL3828708 0.86 GABRA1 (0.70) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7720989 0.85 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRB2
Phenazepam SCHEMBL416137 0.85 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11772087 0.85 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615274 0.85 GABRA1 (0.73) GABRA1GABRA5GABRA3GABRA2GABRB2
7-Aminoclonazepam SCHEMBL11453747 0.85 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL9378946 0.85 GABRA1 (0.77) GABRA1GABRA5GABRA3GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827315-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2017-11-28 US disclosed
US-20160082016-A1 Use of Clonazepam in Combination with Antibiotic in the Treatment of Bacterially Induced Meningitis COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-03-24 US disclosed
US-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2014-10-02 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-20140296191-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E GABRA1 4058/4885GABRA5 3492/4885GABRA3 4137/4885
US-20160082016-A1 Use of Clonazepam in Combination with Antibiotic in the Treatment of Bacterially Induced Meningitis GABBR1, GABBR2, GABRA4 GABRA1 8/4885GABRA5 6/4885GABRA3 4/4885

“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.