SCHEMBL24322649

SCHEMBL24322649

CC[C@@H](C)[C@@H](N)C(=O)NCCCN1CCOCC1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
GAA P10253 1/20 0.55
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.49
DUSP3 P51452 1/20 0.49
USP2 O75604 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
RAB9A P51151 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL3632131 1.00 ALDH1A1 (0.69) ALDH1A1GAALMNAKDM4ETSHR
SCHEMBL12310310 1.00 ALDH1A1 (0.69) ALDH1A1GAALMNAKDM4ETSHR
SCHEMBL12310361 0.96 ALDH1A1 (0.64) ALDH1A1GAALMNAKDM4ETSHR
SCHEMBL1723878 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL1723696 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL1724880 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL29859252 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL3631759 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL14353631 0.92 TSHR (0.59) ALDH1A1GAATSHR
SCHEMBL1723692 0.92 TSHR (0.59) ALDH1A1GAATSHR

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 4556/4885GAA 1981/4885LMNA 1889/4885

“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.