SCHEMBL4916340

SCHEMBL4916340

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.44
▸ GABRG2 P18507 11/20 0.41
▸ GABRB3 P28472 11/20 0.41
▸ GABRA2 P47869 11/20 0.41
▸ GABRA1 P14867 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GFER P55789 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

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
SCHEMBL2661488 0.89 GRM2 (0.41) GABRG2GABRB3GABRA2GRM5
SCHEMBL4920872 0.88 CRHR1 (0.47) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL2661947 0.87 CRHR1 (0.46) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL2661938 0.87 GABRG2 (0.38) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2661576 0.87 CRHR1 (0.41) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL4919724 0.86 CRHR1 (0.41) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL2656734 0.85 BACE1 (0.38) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2669415 0.85 GABRG2 (0.43) CRHR1GABRG2GABRB3GABRA2GRM5
SCHEMBL2661222 0.85 CRHR1 (0.42) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL4925336 0.85 HRH4 (0.40) BACE1ALDH1A1KDM4E

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 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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