SCHEMBL6416731

SCHEMBL6416731

CCOc1ccc(Cl)c(CC2CCN(CC3CN(C4CCCCC4)C(=O)N3C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.42
SLC6A4 P31645 8/20 0.42
CYP2D6 P10635 2/20 0.42
P2RX7 Q99572 1/20 0.37
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.36
HTR4 Q13639 1/20 0.36
CCR8 P51685 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CCR5 P51681 2/20 0.34

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
SCHEMBL6416366 0.93 HTR1A (0.42) HTR1ASLC6A4CYP2D6P2RX7TP53
SCHEMBL6415277 0.91 HTR1A (0.52) HTR1ASLC6A4P2RX7CCR8
SCHEMBL6412230 0.90 HTR1A (0.48) HTR1ASLC6A4CYP2D6
SCHEMBL6418997 0.89 HTR1A (0.43) HTR1ASLC6A4CYP2D6P2RX7ACHE
SCHEMBL6412795 0.87 P2RX7 (0.46) HTR1ASLC6A4P2RX7CCR5
SCHEMBL6615659 0.87 HTR1A (0.42) HTR1ASLC6A4CYP2D6ACHEHTR4
SCHEMBL6411836 0.85 P2RX7 (0.39) HTR1ASLC6A4P2RX7ACHEHTR4
SCHEMBL6412814 0.84 HTR1A (0.52) HTR1ASLC6A4ACHEHTR4CCR8
SCHEMBL6416518 0.83 HTR1A (0.41) HTR1ASLC6A4CYP2D6TP53ACHE
SCHEMBL6417681 0.82 HTR2B (0.44) HTR1ASLC6A4CYP2D6TP53ACHE

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-20050065140-A1 Serotonine reuptake inhibitor SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2005-03-24 US disclosed
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP 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-20050065140-A1 Serotonine reuptake inhibitor HTR1A, SLC6A4, SLC6A2 HTR1A 1/4885SLC6A4 2/4885CYP2D6 323/4885

“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.