SCHEMBL13991083

SCHEMBL13991083

COc1ccc(Cl)cc1-c1c(F)ccc2c(N)c3c(nc12)CN(C1CCC1)C3=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 7/20 0.44
▸ GABRB3 P28472 7/20 0.44
▸ GABRA2 P47869 7/20 0.44
▸ CNR1 P21554 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PIK3CA P42336 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ NPY1R P25929 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PDE5A O76074 1/20 0.34
▸ AGPAT2 O15120 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2669391 0.92 GABRG2 (0.44) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2661686 0.91 GABRG2 (0.53) GABRG2GABRB3GABRA2MAPTPIK3CA
SCHEMBL2669390 0.89 GABRG2 (0.40) GABRG2GABRB3GABRA2HPGDPIK3CA
SCHEMBL4916018 0.89 GABRG2 (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661842 0.88 GABRG2 (0.42) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2655799 0.88 GABRG2 (0.52) GABRG2GABRB3GABRA2SMN1; SMN2NPY1R
SCHEMBL2660625 0.87 GABRG2 (0.39) GABRG2GABRB3GABRA2PIK3CANPY1R
SCHEMBL2656669 0.87 GABRG2 (0.41) GABRG2GABRB3GABRA2CNR1SMN1; SMN2
SCHEMBL2659925 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA2MAPTNPY1R
SCHEMBL2661662 0.86 CNR1 (0.39) GABRG2GABRB3GABRA2CNR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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