SCHEMBL23501949

SCHEMBL23501949

CC[C@@H]1C[C@H](c2ccccc2)CN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.42
DRD2 P14416 2/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL22296049 0.86 HDAC2 (0.40) HDAC2DRD2SLC18A3SIGMAR1DRD1
SCHEMBL19995891 0.81 HDAC2 (0.49) HDAC2SLC18A3SIGMAR1
SCHEMBL4378036 0.81 HTR2C (0.44) HDAC2SLC18A3SIGMAR1
SCHEMBL350327 0.81 HDAC2 (0.49) HDAC2SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL18631883 0.80 HDAC2 (0.48) HDAC2SLC18A3SIGMAR1
SCHEMBL8512642 0.77 HDAC2 (0.49) HDAC2
SCHEMBL8514600 0.77 HDAC2 (0.49) HDAC2
SCHEMBL9965342 0.77 HTR2C (0.38) DRD3
Hydrochloric Acid SCHEMBL9543359 0.76 HDAC2 (0.48) HDAC2
SCHEMBL4207545 0.75 HDAC2 (0.45) HDAC2SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 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 (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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN HDAC2 1213/4885DRD2 4227/4885SLC18A3 1196/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN HDAC2 1213/4885DRD2 4227/4885SLC18A3 1196/4885

“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.