SCHEMBL17816044

SCHEMBL17816044

CCC1CN(C(=O)C2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.50
CHRNA3 P32297 10/20 0.50
CHRNA4 P43681 10/20 0.50
CHRNB3 Q05901 5/20 0.50
CHRNA6 Q15825 5/20 0.50
CHRNB4 P30926 5/20 0.48
CHRNA7 P36544 5/20 0.48
HSD11B1 P28845 4/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.42
HSD11B2 P80365 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL26790983 0.86 HPGD (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19405306 0.83 HPGD (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19176806 0.83 HPGD (0.52) HSD11B1HPGDPOLBPKMHTT
SCHEMBL17815918 0.82 CHRNB2 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12509435 0.81 HPGD (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25513779 0.79 HRH3 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13459026 0.79 HSD11B1 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13459025 0.79 HSD11B1 (0.51) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15718815 0.78 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17312106 0.78 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
US-10376513-B2 Heterocyclylamines as PI3K inhibitors INCYTE HOLDINGS CORPORATION (US) 2019-08-13 US disclosed
WO-2016090285-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-06-09 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-10376513-B2 Heterocyclylamines as PI3K inhibitors PIK3CA, PIK3CD, PIK3CB CHRNB2 4577/4885CHRNA3 3899/4885CHRNA4 4247/4885

“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.