SCHEMBL21388724

SCHEMBL21388724

CC(C)c1cnc(N2CC3CNCC3C2)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.39
CHRNA4 P43681 6/20 0.39
CHRNA7 P36544 3/20 0.35
BPTF Q12830 1/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35

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
SCHEMBL21398891 0.88 MAPT (0.32)
SCHEMBL24867055 0.88 MAPT (0.32)
SCHEMBL21399193 0.82 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL24866477 0.77 KDM4E (0.42)
SCHEMBL21398887 0.76 KDM4E (0.44)
SCHEMBL21399022 0.75 MAPT (0.34)
SCHEMBL21399105 0.73 CHRNB2 (0.35) CHRNB2CHRNA4CHRNA7BPTFCHRNB4
SCHEMBL21398930 0.72 SPR (0.33)
SCHEMBL21399055 0.70 ALDH1A1 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL21380776 0.69 BPTF (0.38) CHRNB2CHRNA4CHRNA7BPTFCHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2023-01-12 US disclosed
US-10561655-B2 SHP2 inhibitors and uses thereof SYNBLIA THERAPEUTICS, INC. (US) 2020-02-18 US disclosed
WO-2019182960-A1 SHP2 INHIBITORS AND USES THEREOF SYNBLIA THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF Suzhou Puhe BioPharma Co., Ltd. (CN) 2019-09-26 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 (3 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-20230010886-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 CHRNB2 4738/4885CHRNA4 4859/4885CHRNA7 4798/4885
US-20190290649-A1 SHP2 INHIBITORS AND USES THEREOF PTPN1, PTPN7, PTPN18 CHRNB2 4738/4885CHRNA4 4859/4885CHRNA7 4798/4885
US-10561655-B2 SHP2 inhibitors and uses thereof PTPN1, PTPN7, PTPN18 CHRNB2 4738/4885CHRNA4 4859/4885CHRNA7 4798/4885

“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.