SCHEMBL15730403

SCHEMBL15730403

CC(C)CC1CN(C(=O)C(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CHRNB3 Q05901 1/20 0.52
CHRNA6 Q15825 1/20 0.52
PIK3CD O00329 2/20 0.35
AOC2 O75106 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
TBXA2R P21731 1/20 0.31
FAAH O00519 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
XBP1 P17861 1/20 0.30

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
SCHEMBL15616083 0.85 DPP4 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15576298 0.85 DPP4 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15616082 0.85 DPP4 (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20082909 0.82 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15730427 0.82 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18327482 0.82 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19229732 0.81 PIK3CD (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12424235 0.81 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13819992 0.81 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15730412 0.80 MEN1 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY KYOWA KIRIN CO., LTD. (JP) 2023-05-25 US disclosed
US-9573958-B2 Benzimidazole derivatives as ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-21 US disclosed
US-9573958-B2 Benzimidazole derivatives as ITK inhibitors PRINCIPIA BIOPHARMA, INC. (US) 2017-02-21 US disclosed
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2016-09-08 US disclosed
US-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS PRINCIPIA BIOPHARMA INC. 2015-08-13 US disclosed
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2014-05-22 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-20150225412-A1 BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS BMX, ITK, BLK CHRNB2 4711/4885CHRNA3 4089/4885CHRNA4 4164/4885
US-20140142099-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK CHRNB2 4628/4885CHRNA3 4431/4885CHRNA4 3411/4885
US-20230159554-A1 COMPOUND WITH ANTICANCER ACTIVITY TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, RCC2 CHRNB2 4874/4885CHRNA3 4880/4885CHRNA4 4881/4885
US-20160257686-A1 Purinone Derivatives as Tyrosine Kinase Inhibitors BMX, BLK, ITK CHRNB2 4628/4885CHRNA3 4431/4885CHRNA4 3411/4885

“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.