SCHEMBL23080936

SCHEMBL23080936

CN1CCC[C@@H](n2ccc3cc(C4CC4)ccc3c2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.38
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ TYK2 P29597 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NLRP3 Q96P20 1/20 0.34

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
SCHEMBL18283942 0.83 HDAC3 (0.35) GRM4BTK
SCHEMBL28200504 0.82 TYK2 (0.34) GRM4TYK2DRD3BTK
SCHEMBL28199873 0.82 TYK2 (0.34) GRM4TYK2DRD3BTK
SCHEMBL23080928 0.82 HTR2B (0.37) HTR6GRM4HTR2BTMEM97TYK2
SCHEMBL20867825 0.81 BTK (0.39) HTR6KCNH2TYK2BTK
SCHEMBL18296154 0.77 GRM4 (0.38) HTR6SLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL18283588 0.76 GRM4 (0.38) HTR6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL18283850 0.73 EGFR (0.32) BTK
SCHEMBL18296157 0.72 JAK3 (0.44) GRM4BTK
SCHEMBL18283524 0.71 BTK (0.33) KCNH2GRM4BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 — — 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 (1 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK HTR6 3535/4885SLC6A2 4644/4885SLC6A4 4817/4885

“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.

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