SCHEMBL20510486

SCHEMBL20510486

COc1cc(OCc2cccc(F)c2)c(F)cc1CNC(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 1/20 0.46
APP P05067 3/20 0.46
SIRT2 Q8IXJ6 2/20 0.44
POLB P06746 1/20 0.43
P2RX7 Q99572 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL20510488 1.00 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2APPSIRT2POLB
SCHEMBL21643122 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL20510968 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL30002074 0.83 MAOB (0.54) ALDH1A1APPSIRT2MEN1KMT2A
SCHEMBL20510454 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL20511421 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL21643111 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL20510616 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL28629216 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL20510961 0.77 HTR2C (0.68) HTR2AHTR2CHTR2B

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-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-06 US disclosed
EP-3601255-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-05 EP disclosed
WO-2018175449-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2018-09-27 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-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL HTR2C, HTR2A, HTR5A ALDH1A1 1031/4885SMN1; SMN2 2422/4885APP 1008/4885

“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.