SCHEMBL6416934

SCHEMBL6416934

COCC(=O)NC1CCC(CCN2CCC(Cc3cc(OC(C)C)ccc3Br)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.51
DRD3 P35462 11/20 0.51
HTR1A P08908 11/20 0.51
DRD2 P14416 10/20 0.51
SLC6A4 P31645 9/20 0.51
CYP2D6 P10635 1/20 0.51
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL6416938 1.00 HTR2A (0.51) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6415446 0.95 HTR1A (0.49) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6415447 0.95 HTR1A (0.49) HTR2ADRD3HTR1ADRD2SLC6A4
Hydrochloric Acid SCHEMBL6413087 0.91 HTR1A (0.56) HTR2ADRD3HTR1ADRD2SLC6A4
Hydrochloric Acid SCHEMBL6413086 0.91 HTR1A (0.56) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6411664 0.91 HTR1A (0.52) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6411657 0.91 HTR1A (0.52) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6434764 0.91 HTR1A (0.52) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6434767 0.91 HTR1A (0.52) HTR2ADRD3HTR1ADRD2SLC6A4
SCHEMBL6413274 0.90 HTR1A (0.53) HTR2ADRD3HTR1ADRD2SLC6A4

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 HTR2A 5/4885DRD3 194/4885HTR1A 1/4885

“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.