SCHEMBL6416533

SCHEMBL6416533

O=C1NC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)CCN1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.43
SLC6A4 P31645 18/20 0.43
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL6418986 0.93 HTR1A (0.43) HTR1ASLC6A4KCNH2CYP2D6NOS3
SCHEMBL6414602 0.90 HTR1A (0.41) HTR1ASLC6A4KCNH2NOS3NOS1
SCHEMBL6414840 0.89 SLC6A4 (0.43) HTR1ASLC6A4
SCHEMBL6419233 0.86 HTR1A (0.56) HTR1ASLC6A4
SCHEMBL6618608 0.85 SLC6A4 (0.42) HTR1ASLC6A4KCNH2CYP2D6NOS3
SCHEMBL6416137 0.85 HTR1A (0.49) HTR1ASLC6A4CYP2D6
SCHEMBL6412805 0.85 HTR1A (0.41) HTR1ASLC6A4KCNH2NOS3NOS1
SCHEMBL6418391 0.84 HTR1A (0.50) HTR1ASLC6A4CYP2D6
SCHEMBL6417415 0.81 SLC6A4 (0.44) HTR1ASLC6A4
SCHEMBL6417692 0.81 SLC6A4 (0.43) HTR1ASLC6A4

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 2/4885KCNH2 1483/4885

“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.