SCHEMBL29889404

SCHEMBL29889404

Cc1cccc(C[C@@H]2CCNC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.56
GBA1 P04062 1/20 0.50
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A3 Q01959 3/20 0.47
HTR2C P28335 2/20 0.46
HTR6 P50406 1/20 0.45
SSTR4 P31391 1/20 0.44
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL1811542 1.00 EED (0.56) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL3958847 0.90 GBA1 (0.62) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL21892421 0.81 CXCR4 (0.53) SLC6A2SLC6A4SLC6A3HTR2CHTR6
SCHEMBL23886405 0.81 TAAR1 (0.48) POLB
SCHEMBL29889395 0.81 EED (0.52) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL13739140 0.81 EED (0.52) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL13740423 0.81 EED (0.52) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL22265953 0.81 EED (0.52) EEDGBA1SLC6A4HTR2CHTR6
SCHEMBL1812734 0.81 EED (0.52) EEDGBA1SLC6A2SLC6A4SLC6A3
SCHEMBL29890848 0.81 EED (0.52) EEDGBA1SLC6A2SLC6A4SLC6A3

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-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 EED 3279/4885GBA1 536/4885SLC6A2 4224/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 EED 3279/4885GBA1 536/4885SLC6A2 4224/4885

“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.