SCHEMBL6418997

SCHEMBL6418997

CC(C)Oc1ccc(Cl)c(CC2CCN(CC3CN(C4CCCCC4)C(=O)N3C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.43
SLC6A4 P31645 7/20 0.43
CYP2D6 P10635 1/20 0.43
P2RX7 Q99572 1/20 0.38
FFAR4 Q5NUL3 1/20 0.34
CCR5 P51681 2/20 0.33
PTGDR Q13258 2/20 0.33
ACHE P22303 2/20 0.33
OPRK1 P41145 1/20 0.33
HTR4 Q13639 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 1/20 0.33
CCR8 P51685 1/20 0.33

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
SCHEMBL6615313 0.94 HTR1A (0.44) HTR1ASLC6A4CYP2D6P2RX7FFAR4
SCHEMBL6415277 0.90 HTR1A (0.52) HTR1ASLC6A4P2RX7OPRK1CCR3
SCHEMBL6412226 0.90 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6416731 0.89 HTR1A (0.42) HTR1ASLC6A4CYP2D6P2RX7CCR5
SCHEMBL6616160 0.88 HTR1A (0.43) HTR1ASLC6A4CYP2D6FFAR4PTGDR
SCHEMBL6412795 0.86 P2RX7 (0.46) HTR1ASLC6A4P2RX7CCR5OPRK1
SCHEMBL6412814 0.85 HTR1A (0.52) HTR1ASLC6A4ACHEOPRK1HTR4
SCHEMBL6411836 0.85 P2RX7 (0.39) HTR1ASLC6A4P2RX7CCR5ACHE
SCHEMBL6416366 0.83 HTR1A (0.42) HTR1ASLC6A4CYP2D6P2RX7ACHE
SCHEMBL6414341 0.83 HTR1A (0.49) HTR1ASLC6A4CYP2D6

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.