SCHEMBL24322639

SCHEMBL24322639

O=C([C@H]1CCCNC1)N1CCC2(CC1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP2C19 P33261 2/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 3/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HPGD P15428 1/20 0.50
USP2 O75604 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
SLC6A1 P30531 2/20 0.44
SLC6A11 P48066 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A13 Q9NSD5 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ATM Q13315 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
SCHEMBL1224548 1.00 ALDH1A1 (0.54) ALDH1A1CYP2C19TSHRLMNAMAPK1
SCHEMBL13745748 0.82 LMNA (0.59) ALDH1A1CYP2C19TSHRLMNAMAPK1
SCHEMBL9763185 0.81 SLC6A1 (0.59) ALDH1A1TSHRLMNAL3MBTL1HPGD
SCHEMBL5319908 0.80 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1HPGD
SCHEMBL6185629 0.80 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1HPGD
SCHEMBL24322606 0.80 TSHR (0.50) ALDH1A1TSHRLMNAMAPK1HPGD
SCHEMBL11772760 0.80 MAPK1 (0.68) ALDH1A1CYP2C19TSHRLMNAMAPK1
SCHEMBL2655363 0.80 SLC6A1 (0.57) ALDH1A1TSHRLMNAHPGDKMT2A
SCHEMBL20811833 0.80 SLC6A1 (0.57) ALDH1A1TSHRLMNAHPGDKMT2A
SCHEMBL16584420 0.80 SLC6A1 (0.57) ALDH1A1TSHRLMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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 (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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN ALDH1A1 4556/4885CYP2C19 4010/4885TSHR 1902/4885

“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.