SCHEMBL3496397

SCHEMBL3496397

CSCC[C@@H](CC(=O)N1CCOCC1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
PKM P14618 3/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 3/20 0.38
FKBP1A P62942 2/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8235806 0.82 CTSS (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL23457828 0.81 L3MBTL1 (0.47) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL3860756 0.81 L3MBTL1 (0.47) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL23457832 0.81 L3MBTL1 (0.47) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL8240635 0.78 L3MBTL1 (0.43) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL3494727 0.77 L3MBTL1 (0.42) ALDH1A1HPGDPOLBMEN1KMT2A
SCHEMBL3494455 0.76 FKBP1A (0.59) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL3859663 0.74 FKBP1A (0.61) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL554903 0.74 FKBP1A (0.61) ALDH1A1PKMHPGDPOLBMEN1
SCHEMBL17819830 0.72 MEN1 (0.44) ALDH1A1PKMHPGDPOLBMEN1

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885PKM 1279/4885HPGD 785/4885

“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.