SCHEMBL29649288

SCHEMBL29649288

OC1CCc2ccncc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.53
CHRNA4 P43681 3/20 0.53
CHRNA7 P36544 1/20 0.53
FDPS P14324 1/20 0.51
CYP3A4 P08684 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
GFRA3 O60609 1/20 0.38
RET P07949 1/20 0.38
CYP19A1 P11511 3/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL21601775 1.00 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7FDPSCYP3A4
SCHEMBL7258173 0.89 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7FDPSCYP3A4
SCHEMBL16363087 0.89 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7FDPSCYP3A4
SCHEMBL16363076 0.89 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA7FDPSCYP3A4
Hydrochloric Acid SCHEMBL28304616 0.87 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA7FDPSCYP3A4
SCHEMBL15386162 0.84 IDO1 (0.43) CHRNB2CHRNA4CHRNA7FDPSIDO1
SCHEMBL18816531 0.84 IDO1 (0.43) CHRNB2CHRNA4CHRNA7FDPSIDO1
SCHEMBL30251479 0.84 IDO1 (0.43) CHRNB2CHRNA4CHRNA7FDPSIDO1
SCHEMBL17545496 0.79
SCHEMBL18795036 0.76 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7FDPSCYP3A4

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 CHRNB2 2272/4885CHRNA4 4169/4885CHRNA7 3586/4885

“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.