SCHEMBL3760820

SCHEMBL3760820

CCOC(=O)c1ncn2c1CN(C(=O)C[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C)Cc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 6/20 0.41
GABRB3 P28472 6/20 0.41
GABRA5 P31644 6/20 0.41
GABRA1 P14867 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
MEN1 O00255 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
CYP2C19 P33261 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
KMT2A Q03164 1/20 0.40
GABRA6 Q16445 1/20 0.40

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
SCHEMBL3760301 1.00 GABRG2 (0.41) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3763510 0.91 DPP4 (0.38)
SCHEMBL3763506 0.91 DPP4 (0.38)
SCHEMBL3764884 0.89 DPP4 (0.38)
SCHEMBL3765180 0.84 DPP4 (0.52) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3773275 0.82 DPP4 (0.41)
SCHEMBL3427590 0.79 DPP4 (0.50)
SCHEMBL3763519 0.78 CASP6 (0.47)
SCHEMBL3765028 0.77 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3777322 0.77 DPP4 (0.46)

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
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 GABRG2 4346/4885GABRB3 3125/4885GABRA5 3445/4885

“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.