SCHEMBL21079136

SCHEMBL21079136

Cc1cccc2c1CC1CCN(C)C21

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.48
BCHE P06276 5/20 0.45
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR1A P08908 5/20 0.37
DRD2 P14416 5/20 0.37

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
SCHEMBL23876655 0.76 SRD5A1 (0.40) ACHEBCHESLC6A2SLC6A4SLC6A3
SCHEMBL3090108 0.75 MAPT (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL3090113 0.75 MAPT (0.50) ACHESLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7346460 0.75 ACHE (0.48) ACHEBCHE
SCHEMBL23876652 0.73 ACHE (0.38) ACHESLC6A2SLC6A4SLC6A3
SCHEMBL12371994 0.72 SIGMAR1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL3816582 0.70 ACHE (0.47) ACHEBCHE
SCHEMBL3816577 0.70 ACHE (0.47) ACHEBCHE
SCHEMBL23876656 0.70 ADRA1B (0.38) ACHEBCHESLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL52235 0.69 ACHE (0.46) ACHEBCHE

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
US-11192886-B2 S1P1 agonist and application thereof MEDSHINE DISCOVERY INC. (CN) 2021-12-07 US disclosed
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2021-09-30 US disclosed
EP-3492465-A1 S1P1 AGONIST AND APPLICATION THEREOF Shijiazhuang Sagacity New Drug Development Co., Ltd. (CN) 2019-06-05 EP 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-11192886-B2 S1P1 agonist and application thereof S1PR1, S1PR2, S1PR3 ACHE 4137/4885BCHE 3940/4885SLC6A2 285/4885
US-20210300908-A1 S1P1 AGONIST AND APPLICATION THEREOF S1PR1, S1PR2, S1PR3 ACHE 4137/4885BCHE 3940/4885SLC6A2 285/4885

“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.