SCHEMBL21418970

SCHEMBL21418970

Clc1cc(Cl)cc(C2C[C@@]23CCNC3)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.38
SLC6A4 P31645 5/20 0.38
SLC6A3 Q01959 5/20 0.38
HTR2C P28335 2/20 0.32
HTR2A P28223 1/20 0.32
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
KCNH2 Q12809 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
ADRB1 P08588 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL19626358 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL17724996 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL17713123 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL17725407 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL21418962 1.00 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL23466001 0.75 HTR2A (0.44) HTR2A
SCHEMBL19629563 0.75 HTR2A (0.44) HTR2A
SCHEMBL17725107 0.75 HTR2A (0.44) HTR2A
SCHEMBL21418955 0.75 HTR2A (0.44) HTR2A
SCHEMBL19629494 0.75 HTR2A (0.44) HTR2A

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-10654842-B2 Dopamine D3 receptor antagonist compounds INDIVIOR UK LIMITED (GB) 2020-05-19 US disclosed
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS INDIVIOR INC. 2019-10-03 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-10654842-B2 Dopamine D3 receptor antagonist compounds DRD3, DRD2, DRD4 SLC6A2 106/4885SLC6A4 181/4885SLC6A3 5/4885
US-20190300514-A1 DOPAMINE D3 RECEPTOR ANTAGONIST COMPOUNDS DRD3, DRD2, DRD4 SLC6A2 106/4885SLC6A4 181/4885SLC6A3 5/4885

“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.