SCHEMBL4412640

SCHEMBL4412640

COc1cc2c(c(OC)c1-c1ccccc1)C(c1cccc(C#N)c1)=NCC(=O)N2Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.53
PTGDR2 Q9Y5Y4 10/20 0.53
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CLPP Q16740 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
CCR9 P51686 1/20 0.36
MDM2 Q00987 1/20 0.36

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
SCHEMBL4410796 0.92 PTGDR2 (0.47) NPSR1PTGDR2GAAHTTGPR55
SCHEMBL4709565 0.87 NPSR1 (0.56) NPSR1PTGDR2GAAHTTGPR55
SCHEMBL4423000 0.86 PTGDR2 (0.55) NPSR1PTGDR2GAAHTTGPR55
SCHEMBL4415654 0.86 PTGDR2 (0.42) NPSR1PTGDR2GAAHTTGPR55
SCHEMBL4413377 0.85 GABRA1 (0.45) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4410915 0.83 GABRA1 (0.46) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4412817 0.82 GABRA1 (0.43) PTGDR2GAAGABRA1GABRG2GABRB3
SCHEMBL4410766 0.82 GABRA1 (0.42) PTGDR2GABRA1GABRG2GABRB3GABRA5
SCHEMBL4709544 0.81 NPSR1 (0.47) NPSR1PTGDR2GAAHTTGPR55
SCHEMBL4410792 0.81 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US claimed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP claimed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO claimed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP claimed
US-20090215752-A1 Compounds, preparation and therapeutic use thereof BAY CITY CAPITAL LLC 2009-08-27 US disclosed
EP-1910315-A2 BENZODIAZEPINE DERIVATIVES, THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2008-04-16 EP disclosed
WO-2007026254-A2 BENZODIAZEPINE DERIVATIVES , THEIR PREPARATION AND THE THERAPEUTIC USE THEREOF NEURO3D (FR) 2007-03-08 WO disclosed
EP-1749824-A1 Benzodiazepine derivatives, their preparation and the therapeutic use thereof NEURO3D (FR) 2007-02-07 EP 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-20090215752-A1 Compounds, preparation and therapeutic use thereof PDE12, PDE4B, PDE2A NPSR1 285/4885PTGDR2 48/4885GAA 300/4885

“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.