SCHEMBL2661576

SCHEMBL2661576

COc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4=O)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.41
▸ GABRG2 P18507 8/20 0.41
▸ GABRB3 P28472 8/20 0.41
▸ GABRA2 P47869 8/20 0.41
▸ NPY1R P25929 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ GRM5 P41594 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP4B1 P13584 1/20 0.36
▸ CYP2B6 P20813 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
SCHEMBL2669415 0.96 GABRG2 (0.43) CRHR1GABRG2GABRB3GABRA2NPY1R
SCHEMBL4912799 0.93 GABRG2 (0.49) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2660844 0.90 NPY1R (0.41) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2655963 0.90 PDE4A (0.46) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4922297 0.89 NPY1R (0.43) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2669562 0.89 GABRG2 (0.51) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2659973 0.89 GABRG2 (0.49) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL4913381 0.88 PDE4A (0.40) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2658404 0.88 GABRG2 (0.39) GABRG2GABRB3GABRA2NPY1RNPY5R
SCHEMBL2661504 0.88 PDE4A (0.37) 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 4 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
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 CRHR1 60/4885GABRG2 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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