SCHEMBL22113447

SCHEMBL22113447

COc1ccc(N2CCN(Cc3cc4ccccc4o3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 14/20 0.78
DRD2 P14416 9/20 0.78
HTR1A P08908 6/20 0.78
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
USP2 O75604 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57

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
SCHEMBL8431204 0.84 ALDH1A1 (0.64) HTR2BDRD2HTR1AMEN1GAA
SCHEMBL6649681 0.77 HTR2B (0.73) HTR2BDRD2HTR1A
SCHEMBL11819664 0.77 DRD4 (0.65) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL7258289 0.77 HTR2B (0.54) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL2983918 0.76 HTR2B (0.70) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL11627660 0.76 ALDH1A1 (0.55) DRD2MEN1KMT2AALDH1A1MAPT
SCHEMBL2979920 0.75 HTR2B (0.74) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL4754279 0.74 HTR2B (1.00) HTR2BDRD2HTR1AMEN1KMT2A
SCHEMBL6525112 0.74 HTR2B (0.73) HTR2BDRD2HTR1A
SCHEMBL11923385 0.74 SIGMAR1 (0.79) DRD2KMT2AALDH1A1MAPTNPSR1

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-12521386-B2 Small molecule inhibitors of the androgen receptor activity and/or expression and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-13 US disclosed
US-20220062278-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 US disclosed
WO-2020123670-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-06-18 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 (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-20220062278-A1 SMALL MOLECULE INHIBITORS OF THE ANDROGEN RECEPTOR ACTIVITY AND/OR EXPRESSION AND USES THEREOF AR, KLK3, FSHR HTR2B 2767/4885DRD2 2233/4885HTR1A 2147/4885

“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.