SCHEMBL30004846

SCHEMBL30004846

CC(C)(C)OC(=O)N1CC[C@@H]2CC[C@H](C1)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.46
EPHX1 P07099 1/20 0.46
NR1H2 P55055 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL4321473 1.00 HPGD (0.48) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL2936888 0.94 HPGD (0.49) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL18151107 0.94 HPGD (0.49) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL400513 0.90 NR1H2 (0.50) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL22169156 0.90 NR1H2 (0.50) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL24884312 0.90 NR1H2 (0.50) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL608991 0.90 NR1H2 (0.50) HPGDRECQLEPHX1NR1H2MAPT
Hydrochloric Acid SCHEMBL7149386 0.88 NR1H2 (0.49) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL22001467 0.85 RECQL (0.48) HPGDRECQLEPHX1NR1H2MAPT
SCHEMBL14439497 0.84 ALDH1A1 (0.42) HPGDRECQLEPHX1NR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-16 US disclosed
US-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 TAIHO PHARMACEUTICAL CO., LTD. (JP) 2022-11-17 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 (2 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-20220363693-A1 HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2 PTPN1, PTPN9, PTPN7 HPGD 4778/4885RECQL 912/4885EPHX1 2155/4885
US-12037345-B2 Heterobicyclic compounds for inhibiting the activity of SHP2 PTPN1, PTPN9, PTPN7 HPGD 4806/4885RECQL 1130/4885EPHX1 2183/4885

“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.