SCHEMBL29277486

SCHEMBL29277486

c1cc(C2CC2)ccc1OC1CNC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
HRH1 P35367 1/20 0.41
HTR1A P08908 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
SCHEMBL14956620 0.92 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3HRH1HTR1A
SCHEMBL2366436 0.82 HRH1 (0.63) HRH1
SCHEMBL25325425 0.79 CYP2D6 (0.44) HRH1
SCHEMBL18553711 0.78 HRH1 (0.63) HRH1
SCHEMBL25176717 0.78 CHRNB2 (0.51) HRH1
SCHEMBL16839485 0.78 PARP10 (0.46)
SCHEMBL2582519 0.77 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HRH1HTR1A
SCHEMBL3038636 0.76 HRH1 (0.55) HRH1
SCHEMBL15000364 0.76 HRH1 (0.55) HRH1
SCHEMBL2298255 0.75 SLC6A4 (0.53) SLC6A2SLC6A4SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 WO disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 WO 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-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 SLC6A2 4429/4885SLC6A4 4134/4885SLC6A3 4328/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 SLC6A2 1028/4885SLC6A4 609/4885SLC6A3 607/4885

“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.