SCHEMBL24323696

SCHEMBL24323696

O=C(NCCN1CCOCC1)[C@H]1CCCNC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP2C9 P11712 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45

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
SCHEMBL2146806 0.92 ALDH1A1 (0.55) ALDH1A1CYP2C9L3MBTL1KDM4ETSHR
SCHEMBL2146803 0.92 ALDH1A1 (0.55) ALDH1A1CYP2C9L3MBTL1KDM4ETSHR
Hydrochloric Acid SCHEMBL21640110 0.86 ALDH1A1 (0.56) ALDH1A1CYP2C9L3MBTL1KDM4ETSHR
SCHEMBL2148739 0.84 LMNA (0.53) ALDH1A1CYP2C9KDM4ESMN1; SMN2MEN1
SCHEMBL2148732 0.84 LMNA (0.53) ALDH1A1CYP2C9KDM4ESMN1; SMN2MEN1
SCHEMBL24322786 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1TSHRSMN1; SMN2KMT2A
SCHEMBL15362709 0.83 ALDH1A1 (0.61) ALDH1A1CYP2C9L3MBTL1KDM4ETSHR
SCHEMBL19849348 0.83 ALDH1A1 (0.71) ALDH1A1CYP2C9L3MBTL1KDM4ETSHR
Hydrochloric Acid SCHEMBL2146359 0.83 LMNA (0.52) ALDH1A1CYP2C9KDM4ESMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2146368 0.83 LMNA (0.52) ALDH1A1CYP2C9KDM4ESMN1; SMN2MEN1

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 4556/4885CYP2C9 4549/4885L3MBTL1 2569/4885

“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.