SCHEMBL23248797

SCHEMBL23248797

COc1cc2c3c(ccn3CC(N(C)C)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.42
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
HTR7 P34969 1/20 0.38
DRD4 P21917 3/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
HTR6 P50406 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL26266621 0.82 HTR1A (0.36) HTR1ADRD2DRD3DRD4SLC6A2
SCHEMBL31649469 0.82 HTR1A (0.45) HTR1ADRD2DRD3HTR7SLC6A2
SCHEMBL31649795 0.82 HTR1A (0.45) HTR1ADRD2DRD3HTR7SLC6A2
SCHEMBL23248775 0.82 HTR1A (0.45) HTR1ADRD2DRD3HTR7SLC6A2
SCHEMBL23249335 0.81 DRD2 (0.42) HTR1ADRD2DRD3
SCHEMBL23249297 0.81 HTR1A (0.44) HTR1ADRD2DRD3HTR7DRD4
SCHEMBL23261642 0.78 DRD2 (0.39) HTR1ADRD2DRD3DRD4SLC6A2
SCHEMBL23249314 0.76 HTR1A (0.68) HTR1ADRD2DRD3HTR7DRD4
SCHEMBL6356879 0.76 HTR1A (0.68) HTR1ADRD2DRD3HTR7DRD4
SCHEMBL23261784 0.76 HTR1A (0.68) HTR1ADRD2DRD3HTR7DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2021076572-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
WO-2021076572-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 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-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY GRIN1, GRIN2A, GRIN3B HTR1A 746/4885DRD2 184/4885DRD3 375/4885

“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.