SCHEMBL20307243

SCHEMBL20307243

COc1ccc2c(c1)c(CCN(C)C)cn2CCn1cc(CCN(C)C)c2cc(OC)ccc21

nearest known ligand 0.88

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.88
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR1E P28566 1/20 0.59
HTR1F P30939 1/20 0.59
HTR7 P34969 1/20 0.59
DRD3 P35462 1/20 0.59
ADRB2 P07550 1/20 0.53

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
SCHEMBL24878202 0.90 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL24877727 0.89 HTR6 (0.79) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL24877683 0.89 HTR6 (0.79) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL20307221 0.87 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL20307226 0.87 HTR6 (0.78) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL2975416 0.85 HTR6 (1.00) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL24878095 0.84 HTR6 (0.67) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL30808122 0.84 HTR6 (0.70) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL30808124 0.84 HTR6 (0.70) HTR6HTR1ADRD2HTR1DHTR1B
SCHEMBL25330502 0.83 HTR6 (0.73) HTR6HTR1ADRD2HTR1DHTR1B

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-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 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-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR6 596/4885HTR1A 813/4885DRD2 3920/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR6 596/4885HTR1A 813/4885DRD2 3920/4885

“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.