SCHEMBL20820907

SCHEMBL20820907

O=C1NC(=O)C2(CCN(CC(=O)OCc3ccccc3)CC2)N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.52
DDB1 Q16531 2/20 0.47
HTR2A P28223 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 4/20 0.46
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 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
SCHEMBL6618655 0.83 CRBN (0.61) CRBNDDB1HTR2CSMN1; SMN2MAPK1
SCHEMBL24251635 0.79 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL5192402 0.78 LTA4H (0.61) CRBNDDB1HTR2AHTR2CHTR2B
SCHEMBL29098495 0.78 ALDH1A1 (0.47) CRBNDDB1HTR2CALDH1A1SMN1; SMN2
SCHEMBL16228472 0.77 ALDH1A1 (0.49) CRBNDDB1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6431088 0.76 MEN1 (0.48) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL6431426 0.76 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL3569051 0.76 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL25001507 0.76 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1L3MBTL1MEN1
SCHEMBL6601404 0.75 EGFR (0.54) HTR2CALDH1A1SMN1; SMN2MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 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 (2 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-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 CRBN 3966/4885DDB1 3334/4885HTR2A 3258/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 CRBN 3989/4885DDB1 3023/4885HTR2A 3312/4885

“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.