SCHEMBL21135449

SCHEMBL21135449

CCOC(=O)c1ccc(N2CCC[C@H](CO)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
HTT P42858 4/20 0.48
HPGD P15428 3/20 0.48
NPSR1 Q6W5P4 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDFT1 P37268 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL21135456 1.00 ALDH1A1 (0.48) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL21135497 1.00 ALDH1A1 (0.48) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL1994967 0.92 HTT (0.50) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL7470844 0.85 ALDH1A1 (0.50) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL8207095 0.84 HTT (0.52) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL7051582 0.84 DPP4 (0.56) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL7468160 0.84 DPP4 (0.56) ALDH1A1HTTHPGDNPSR1HSP90AA1
SCHEMBL27976340 0.83 NPC1 (0.51) ALDH1A1HPGDNPSR1NPC1RAB9A
SCHEMBL1663461 0.81 USP2 (0.51) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3898465 0.81 HPGD (0.61) ALDH1A1HTTHPGDNPSR1HSP90AA1

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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation UNIVERSITE DE MONTREAL (CA) 2019-06-25 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-10329307-B2 Heterocyclic compounds as inhibitors of platelet aggregation F12, F2, F3 ALDH1A1 1559/4885HTT 2643/4885HPGD 740/4885

“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.