SCHEMBL6357693

SCHEMBL6357693

COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(CC(=O)N(C)c4ccccc4)cc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.48
KCNH2 Q12809 3/20 0.48
SLC6A4 P31645 2/20 0.48
HTR7 P34969 2/20 0.48
AURKA O14965 1/20 0.46
HTR6 P50406 1/20 0.43

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
SCHEMBL6356497 0.87 ADRA2A (0.49) HTR1AKCNH2SLC6A4HTR7
SCHEMBL6357695 0.86 HTR1A (0.48) HTR1AKCNH2SLC6A4HTR7HTR6
SCHEMBL4345058 0.82 HTR1A (0.47) HTR1AKCNH2SLC6A4HTR7
SCHEMBL4349478 0.82 HTR1A (0.47) HTR1AKCNH2SLC6A4HTR7
SCHEMBL4351547 0.82 HTR1A (0.48) HTR1AKCNH2SLC6A4HTR7HTR6
SCHEMBL4344315 0.82 HTR1A (0.47) HTR1AKCNH2SLC6A4HTR7
SCHEMBL4352070 0.82 HTR1A (0.48) HTR1AKCNH2SLC6A4HTR7HTR6
SCHEMBL4349219 0.81 HTR1A (0.49) HTR1AKCNH2SLC6A4HTR7
SCHEMBL6354777 0.81 ADRA2A (0.53) HTR1AKCNH2SLC6A4HTR7
SCHEMBL4345018 0.81 HTR1A (0.46) HTR1AKCNH2SLC6A4HTR7

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-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US claimed
US-20050095286-A1 Extended release compositions FABRE KRAMER PHARMACEUTICALS, INC. (US) 2005-05-05 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 (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-20050095286-A1 Extended release compositions PDE3A, GIPR, PDE7A HTR1A 22/4885KCNH2 3678/4885SLC6A4 167/4885

“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.