SCHEMBL24322808

SCHEMBL24322808

O[C@@H](COc1ccccc1)CN1CCNCC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.77
KDM4E B2RXH2 1/20 0.75
TSHR P16473 2/20 0.73
CYP2D6 P10635 2/20 0.73
HIF1A Q16665 1/20 0.73
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
POLB P06746 1/20 0.65
DRD4 P21917 4/20 0.64
DRD2 P14416 3/20 0.64
DRD3 P35462 3/20 0.64
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP2C19 P33261 1/20 0.59
ACE2 Q9BYF1 1/20 0.58
MAPK1 P28482 1/20 0.58

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
SCHEMBL5878421 1.00 L3MBTL1 (0.77) L3MBTL1KDM4ETSHRCYP2D6HIF1A
Dimethylamine SCHEMBL7279750 0.94 L3MBTL1 (0.69) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL4577971 0.89 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL11240406 0.89 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL3970369 0.89 L3MBTL1 (0.97) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL25010831 0.86 KDM4E (1.00) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL25010832 0.86 KDM4E (1.00) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL11537591 0.86 KDM4E (1.00) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL12402885 0.85 ATM (0.61) L3MBTL1KDM4ETSHRCYP2D6HIF1A
SCHEMBL12402888 0.85 ATM (0.61) L3MBTL1KDM4ETSHRCYP2D6HIF1A

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 L3MBTL1 2569/4885KDM4E 4426/4885TSHR 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.