SCHEMBL6858440

SCHEMBL6858440

COC(C)Oc1ccc(Br)c(CC2CCNCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.47
HTR1A P08908 17/20 0.47
CYP2D6 P10635 1/20 0.45

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
Hydrochloric Acid SCHEMBL6410391 0.91 SLC6A4 (0.42) SLC6A4HTR1ACYP2D6
SCHEMBL6858387 0.90 SLC6A4 (0.51) SLC6A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL6412532 0.88 SLC6A4 (0.50) SLC6A4HTR1ACYP2D6
SCHEMBL6382507 0.85 SLC6A4 (0.58) SLC6A4HTR1A
SCHEMBL6859425 0.85 SLC6A4 (0.46) SLC6A4HTR1ACYP2D6
SCHEMBL5206523 0.84 SLC6A4 (0.42) SLC6A4HTR1ACYP2D6
Hydrochloric Acid SCHEMBL5203395 0.84 SLC6A4 (0.57) SLC6A4HTR1A
SCHEMBL6858369 0.80 SLC6A4 (0.50) SLC6A4HTR1ACYP2D6
SCHEMBL6858442 0.80 SLC6A4 (0.62) SLC6A4HTR1ACYP2D6
SCHEMBL6418809 0.76 HTR1A (0.67) SLC6A4HTR1A

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-6787560-B2 PSYCHOLOGICAL DISORDERS; ANTIDEPRESSANTS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-09-07 US claimed
US-20030191126-A1 Psychological disorders; antidepressants SUMITOMO PHARMACEUTICALS COMPANY LIMITED 2003-10-09 US claimed

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-20030191126-A1 Psychological disorders; antidepressants CRH, HTR2C, HTR1A SLC6A4 10/4885HTR1A 3/4885CYP2D6 202/4885

“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.