SCHEMBL24323728

SCHEMBL24323728

O[C@@H](COc1ccc2ccccc2c1)CN1CCNCC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
KDM4E B2RXH2 4/20 0.70
MAPT P10636 2/20 0.64
POLB P06746 4/20 0.63
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.57
UBE2N P61088 1/20 0.57
MAPK1 P28482 2/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
HPGD P15428 1/20 0.54
USP2 O75604 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL6697306 1.00 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EMAPTPOLBNPSR1
SCHEMBL4580492 0.90 KDM4E (0.82) SMN1; SMN2KDM4EMAPTPOLBNPSR1
SCHEMBL9330581 0.86 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTPOLBNPSR1
SCHEMBL31302688 0.86 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EMAPTPOLBNPSR1
SCHEMBL5878421 0.85 L3MBTL1 (0.77) SMN1; SMN2KDM4EPOLBMAPK1RAB9A
SCHEMBL24322808 0.85 L3MBTL1 (0.77) SMN1; SMN2KDM4EPOLBMAPK1RAB9A
SCHEMBL16392457 0.84 SMN1; SMN2 (0.97) SMN1; SMN2KDM4EMAPTPOLBMAPK1
SCHEMBL16370963 0.84 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EMAPTPOLBNPSR1
SCHEMBL4579674 0.84 SMN1; SMN2 (0.97) SMN1; SMN2KDM4EMAPTPOLBMAPK1
SCHEMBL16371128 0.84 KDM4E (0.77) SMN1; SMN2KDM4EMAPTPOLBNPSR1

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 SMN1; SMN2 4226/4885KDM4E 4426/4885MAPT 4494/4885

“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.