SCHEMBL2660932

SCHEMBL2660932

COc1cccc(F)c1-c1cccc2c(N)c3c(nc12)CN(C1CCCC1)C3=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ RPS6KA2 Q15349 5/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ NPY1R P25929 1/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ LITAF Q99732 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ GNRHR P30968 4/20 0.35
▸ HTR2B P41595 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
SCHEMBL2669423 0.98 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2661690 0.96 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2656175 0.91 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2669417 0.91 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4925266 0.91 GABRG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4921068 0.89 NPY1R (0.39) GABRG2GABRB3GABRA2MAPK1NPY1R
SCHEMBL8109335 0.89 NPY1R (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2661079 0.88 NPY1R (0.39) GABRG2GABRB3GABRA2MAPK1NPY1R
SCHEMBL2660594 0.87 NPY1R (0.38) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4916106 0.87 NPY1R (0.42) GABRG2GABRB3GABRA2NPY1RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO 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 GABRA1 175/4885GABRG2 592/4885GABRB3 332/4885

“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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