SCHEMBL812253

SCHEMBL812253

N[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP2C19 P33261 1/20 0.56
KDM1A O60341 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
ACE2 Q9BYF1 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CTRB1 P17538 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL13769204 1.00 PREP (0.57) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL29847526 0.91 SMN1; SMN2 (0.58) PREPSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL29107116 0.87 DPP4 (0.45) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3049973 0.84 PREP (0.58) PREPSMN1; SMN2CYP2C19ACE2NPC1
SCHEMBL4344988 0.84 KDM1A (0.54) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3076586 0.84 PREP (0.55) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3088051 0.84 PREP (0.55) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3088055 0.84 PREP (0.55) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3076595 0.84 PREP (0.55) PREPSMN1; SMN2CYP2C19KDM1ARCOR1
SCHEMBL3076590 0.84 PREP (0.55) PREPSMN1; SMN2CYP2C19KDM1ARCOR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
WO-2007009716-A1 PREPARATION OF TERAZOLE DERIVATIVES NOVARTIS AG (CH) 2007-01-25 WO 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 PREP 4006/4885SMN1; SMN2 3982/4885CYP2C19 378/4885

“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.