SCHEMBL20683073

SCHEMBL20683073

N[C@@H]1CCCCc2cc(O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.58
ESR2 Q92731 9/20 0.58
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
CYP19A1 P11511 1/20 0.41
SHBG P04278 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRKCI P41743 1/20 0.40

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
SCHEMBL8274690 0.95 ESR1 (0.55) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL32665639 0.95 ESR1 (0.55) ESR1ESR2DRD2DRD3OPRK1
Bromide SCHEMBL10357246 0.93 ESR1 (0.54) ESR1ESR2DRD2DRD3OPRK1
Acetic Acid SCHEMBL20533149 0.91 ESR1 (0.50) ESR1ESR2DRD2DRD3OPRK1
Acetic Acid SCHEMBL20533151 0.91 ESR1 (0.50) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL32665589 0.87 DRD2 (0.55) ESR1ESR2DRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL1370024 0.85 DRD2 (0.53) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL2803692 0.80 ACHE (0.51) ESR1ESR2DRD2DRD3OPRK1
SCHEMBL11705084 0.79 ESR1 (0.55) ESR1ESR2DRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL2807478 0.79 ACHE (0.50) ESR1ESR2DRD2DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2024-01-02 US disclosed
EP-4249071-A2 BENZOAZEPINE ANALOGS AS INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2023-09-27 EP disclosed
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 US disclosed
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2023-05-11 US disclosed
US-11427577-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2022-08-30 US disclosed
US-20210340135-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2021-11-04 US disclosed
US-10961237-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2021-03-30 US disclosed
US-20200239459-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE BIOGEN MA INC. 2020-07-30 US disclosed
US-10227341-B2 Inhibiting agents for bruton's tyrosine kinase BIOGEN MA INC. (US) 2019-03-12 US disclosed
US-10189829-B2 Inhibiting agents for Bruton's tyrosine kinase BIOGEN MA INC. (US) 2019-01-29 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 (8 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-10227341-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-10961237-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-20210340135-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-20200239459-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-11427577-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-10189829-B2 Inhibiting agents for Bruton's tyrosine kinase ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-11858926-B2 Inhibiting agents for bruton's tyrosine kinase ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885
US-20230147490-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE ABL1, BTK, LYN ESR1 4163/4885ESR2 3831/4885DRD2 4832/4885

“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.