SCHEMBL7696565

SCHEMBL7696565

CN1CCC[C@H]1c1cccnc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.51
CHRNA4 P43681 5/20 0.51
CHRNA7 P36544 4/20 0.51
CHRNB4 P30926 3/20 0.51
CHRNA3 P32297 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CHRNA2 Q15822 2/20 0.51
LMNA P02545 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTR3E A5X5Y0 1/20 0.51
PSIP1 O75475 1/20 0.51
TRPA1 O75762 1/20 0.51
HTR3B O95264 1/20 0.51
CHRNA1 P02708 1/20 0.51
CHRNG P07510 1/20 0.51
MAPT P10636 1/20 0.51
CHRNB1 P11230 1/20 0.51
CYP2A6 P11509 1/20 0.51
PTGS1 P23219 1/20 0.51
CHRNA5 P30532 1/20 0.51

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
SCHEMBL7696569 1.00 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2053238 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL157418 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL30866537 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14836448 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8441154 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL31019629 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14875533 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL1757177 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL11911578 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486876-A Compounds as inhibitors of Akt kinase 正大天晴药业集团股份有限公司 2024-02-02 CN disclosed
US-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-11-09 US disclosed
EP-4223754-A1 COMPOUND AS AKT KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-09 EP disclosed
CN-116194452-A Compounds as inhibitors of Akt kinase 正大天晴药业集团股份有限公司 2023-05-30 CN disclosed
WO-2002058635-A2 NICOTINE IMMUNOGENS AND ANTIBODIES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2002-08-01 WO disclosed
US-4243605-A RADIOIMMUNOASSAY, LABELS UNION CARBIDE CORPORATION (US) 1981-01-06 US disclosed
US-4115539-A RADIOIMMUNOASSAY, REACTION PRODUCT WITH ISOCYANATES UNION CARBIDE CORPORATION (US) 1978-09-19 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-20230357242-A1 COMPOUND AS AKT KINASE INHIBITOR AKT2, MTOR, AKT1 CHRNB2 4751/4885CHRNA4 4842/4885CHRNA7 4604/4885

“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.