SCHEMBL29649333

SCHEMBL29649333

Cc1cc2c(cn1)C(O)CC2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.55
▸ GFRA3 O60609 1/20 0.43
▸ RET P07949 1/20 0.43
▸ UGT2B17 O75795 2/20 0.36
▸ PGR P06401 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNA2 Q15822 1/20 0.34
▸ DRD2 P14416 3/20 0.33
▸ DRD1 P21728 3/20 0.33
▸ CYP11B1 P15538 5/20 0.31
▸ CYP11B2 P19099 5/20 0.31
▸ UHRF1 Q96T88 1/20 0.31

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
SCHEMBL29792600 0.85 CHRNA7 (0.44) CHRNA7GFRA3RETUGT2B17PGR
SCHEMBL23088396 0.85 CHRNA7 (0.44) CHRNA7GFRA3RETUGT2B17PGR
SCHEMBL6845140 0.79 CHRNA7 (0.57) CHRNA7HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL10238795 0.79 CHRNA7 (0.57) CHRNA7HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL18094367 0.78 GFRA3 (0.43) CHRNA7GFRA3RETPGRCHRNB2
SCHEMBL27894710 0.78 CHRNA7 (0.55) CHRNA7HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL26307220 0.78 GFRA3 (0.43) CHRNA7GFRA3RETPGRCHRNB2
SCHEMBL16800643 0.78 GFRA3 (0.43) CHRNA7GFRA3RETPGRCHRNB2
SCHEMBL6845118 0.78 CHRNA7 (0.55) CHRNA7HCRTR1HCRTR2CHRNB2CHRNB4
SCHEMBL15464723 0.77 CHRNB2 (0.57) CHRNA7GFRA3RETUGT2B17PGR

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-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 — — US disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 — — CN 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-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 CHRNA7 3586/4885GFRA3 4462/4885RET 2458/4885

“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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