SCHEMBL25759350

SCHEMBL25759350

O=C(OCc1ccccc1)N1CCCC2OC(CBr)CC21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
ACE2 Q9BYF1 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C19 P33261 1/20 0.45
CTRB1 P17538 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 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
SCHEMBL31323701 0.79 PREP (0.57) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL7318776 0.78 PREP (0.55) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL7312769 0.78 PREP (0.55) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL7312764 0.78 PREP (0.55) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL10310509 0.77 PREP (0.50) PREPKLK7KLK5ACE2HSD17B10
SCHEMBL25759347 0.77 PREP (0.50) PREPKLK7KLK5ACE2HSD17B10
SCHEMBL21193181 0.76 PREP (0.54) PREPACE2NPSR1TSHR
SCHEMBL15817600 0.76 PREP (0.58) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL9873062 0.76 PREP (0.83) PREPSMN1; SMN2NPC1RAB9AKLK7
SCHEMBL26130329 0.76 PREP (0.47) PREPSMN1; SMN2NPC1RAB9AMEN1

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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE CHENGDA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 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-20230192614-A1 METHOD FOR PREPARATION OF TRANS-N-BENZYLOXYCARBONYL-(3-HYDROXY-2-PIPERIDINYL)-2-PROPANONE AS INTERMEDIATE OF HALOFUGINONE TALDO1, RPL22, RPS20 PREP 1233/4885SMN1; SMN2 3272/4885NPC1 2405/4885

“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.