SCHEMBL29889588

SCHEMBL29889588

Fc1cc(F)cc(C[C@H]2CCNC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
GBA1 P04062 1/20 0.43
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A3 Q01959 3/20 0.40
EED O75530 1/20 0.40
KCNH2 Q12809 1/20 0.40
CHRM3 P20309 3/20 0.40
SLC6A1 P30531 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRB2 P47870 2/20 0.36
SLC6A12 P48065 2/20 0.36
SLC6A11 P48066 2/20 0.36
SLC6A13 Q9NSD5 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRR1 P24046 1/20 0.36
GABRA4 P48169 1/20 0.36

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
SCHEMBL22265774 1.00 HRH4 (0.44) HRH4HRH3GBA1SLC6A4SLC6A2
SCHEMBL16138420 0.89 GBA1 (0.55) HRH4HRH3GBA1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL16112905 0.87 GBA1 (0.53) HRH4HRH3GBA1SLC6A4SLC6A2
SCHEMBL21006152 0.84 CACNA1G (0.36) GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL1812734 0.83 EED (0.52) HRH3GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL21608008 0.83 HRH3 (0.50) HRH4HRH3GBA1SLC6A4EED
SCHEMBL13740423 0.83 EED (0.52) HRH3GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL13739140 0.83 EED (0.52) HRH3GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL21603165 0.82 HRH3 (0.45) HRH4HRH3GBA1SLC6A4SLC6A2
SCHEMBL1811296 0.81 GBA1 (0.52) HRH4HRH3GBA1SLC6A4SLC6A2

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 HRH4 1531/4885HRH3 1500/4885GBA1 536/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 HRH4 1531/4885HRH3 1500/4885GBA1 536/4885

“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.