SCHEMBL22019658

SCHEMBL22019658

Cc1ccc(C#N)cc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.46
CHRNG P07510 1/20 0.46
CHRNB1 P11230 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRND Q07001 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.41
CYP11B2 P19099 3/20 0.40
CYP11B1 P15538 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.40
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.40
DRD1 P21728 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL16954663 0.85 CYP11B2 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL16905570 0.82 CHRNA1 (0.65) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL16955729 0.81 HTR2C (0.35) HTR2C
SCHEMBL30963 0.79 CYP11B2 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL19561507 0.78 CYP11B2 (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL14290362 0.78 CYP11B2 (0.49) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10088668 0.78 CYP11B2 (0.49) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL25385512 0.77 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL2695090 0.77 CHRNA1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL1081422 0.77 NOS3 (0.46) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098876-A1 CARBONYL SUBSTITUTED DIAZASPIRO COMPOUNDS AND ITS USE BIONOVA PHARMACEUTICALS (SHANGHAI) LIMITED (CN) 2023-06-08 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed
US-11369605-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-06-28 US disclosed
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-11-04 US disclosed
US-10815241-B2 Optically active azabicyclo ring derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-10-27 US disclosed
US-20200157114-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-05-21 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 (4 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-11369605-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 CHRNA1 3198/4885CHRNG 4174/4885CHRNB1 3106/4885
US-20210338668-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE MLLT3, MEN1, MLLT1 CHRNA1 3198/4885CHRNG 4174/4885CHRNB1 3106/4885
US-20200157114-A1 OPTICALLY ACTIVE AZABICYCLO RING DERIVATIVE MLLT3, MEN1, MLLT1 CHRNA1 3198/4885CHRNG 4174/4885CHRNB1 3106/4885
US-10815241-B2 Optically active azabicyclo ring derivative MLLT3, MEN1, MLLT1 CHRNA1 3198/4885CHRNG 4174/4885CHRNB1 3106/4885

“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.