SCHEMBL29889685

SCHEMBL29889685

Cn1nnc2cc(CNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
HPGD P15428 4/20 0.49
MAPT P10636 3/20 0.49
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HCAR3 P49019 1/20 0.46
GRM2 Q14416 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
BRD4 O60885 3/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.43
NAMPT P43490 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLS O94925 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 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
SCHEMBL23064173 1.00 POLB (0.51) POLBHPGDMAPTHSD17B10L3MBTL1
SCHEMBL21409102 0.82 POLB (0.57) POLBHPGDMAPTHSD17B10L3MBTL1
SCHEMBL20946419 0.81 GAA (0.46) POLBHPGDMAPTHSD17B10L3MBTL1
SCHEMBL29269258 0.78 CACNA1H (0.50) L3MBTL1GRM2KDM4ENAMPTCYP1A2
SCHEMBL10165151 0.76 POLB (0.52) POLBHSD17B10L3MBTL1ALDH1A1RAB9A
SCHEMBL26932092 0.75 L3MBTL1 (0.42) MAPTHSD17B10L3MBTL1GRM2BRD4
SCHEMBL19553612 0.75 HCAR3 (0.49) HPGDMAPTHSD17B10L3MBTL1ALDH1A1
SCHEMBL30587447 0.75 CHRNA7 (0.57) KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL23928856 0.75 CHRNA7 (0.57) KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL3180689 0.75 L3MBTL1 (0.61) MAPTL3MBTL1NAMPT

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
EP-3788039-B1 FACTOR XIIA INHIBITORS UNIV LEEDS INNOVATIONS LTD (GB) 2026-02-11 EP disclosed
US-12336991-B2 Factor XIIA inhibitors UNIVERSITY OF LEEDS (GB) 2025-06-24 US disclosed
US-20220305011-A1 FACTOR XIIA INHIBITORS UNIVERSITY OF LEEDS (GB) 2022-09-29 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-20220305011-A1 FACTOR XIIA INHIBITORS F11, F13B, F12 POLB 2428/4885HPGD 675/4885MAPT 4436/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 POLB 2428/4885HPGD 675/4885MAPT 4436/4885

“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.