SCHEMBL29890848

SCHEMBL29890848

Brc1cccc(C[C@@H]2CCNC2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.52
GBA1 P04062 1/20 0.50
SLC6A4 P31645 4/20 0.41
EP300 Q09472 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRM3 P20309 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
IDO1 P14902 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL26187550 1.00 EED (0.52) EEDGBA1SLC6A4EP300CHRM2
SCHEMBL29889395 1.00 EED (0.52) EEDGBA1SLC6A4EP300CHRM2
Hydrochloric Acid SCHEMBL30648851 0.98 EED (0.51) EEDGBA1SLC6A4EP300CHRM2
Hydrochloric Acid SCHEMBL2634704 0.89 GBA1 (0.61) EEDGBA1SLC6A4EP300TAAR1
Hydrochloric Acid SCHEMBL8207718 0.87 EED (0.46) EEDGBA1SLC6A4TAAR1IDO1
SCHEMBL26187523 0.86 TAAR1 (0.44) EEDGBA1SLC6A4TAAR1IDO1
Hydrochloric Acid SCHEMBL8208491 0.83 EED (0.49) EEDGBA1SLC6A4TAAR1IDO1
SCHEMBL5618486 0.82 TAAR1 (0.42) EEDGBA1SLC6A4EP300CHRM2
SCHEMBL24187547 0.81 TAAR1 (0.48) GBA1TAAR1IDO1AGXT
SCHEMBL30431712 0.81 TAAR1 (0.48) GBA1TAAR1IDO1AGXT

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 536/4885SLC6A4 4480/4885
US-12336991-B2 Factor XIIA inhibitors F11, F13B, F12 EED 3279/4885GBA1 536/4885SLC6A4 4480/4885

“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.