SCHEMBL5705183

SCHEMBL5705183

NCCCCCCCN1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 1.00
ADRA1D P25100 4/20 0.80
CYP2D6 P10635 1/20 0.61

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
SCHEMBL5705177 1.00 SLC6A4 (1.00) SLC6A4ADRA1DCYP2D6
Hydrochloric Acid SCHEMBL5705146 0.99 SLC6A4 (0.98) SLC6A4ADRA1DCYP2D6
SCHEMBL3380974 0.99 SLC6A4 (0.97) SLC6A4ADRA1DCYP2D6
SCHEMBL5705230 0.95 SLC6A4 (0.90) SLC6A4ADRA1DCYP2D6
SCHEMBL9672545 0.90 SLC6A4 (0.81) SLC6A4ADRA1DCYP2D6
SCHEMBL7260934 0.89 ADRA1D (1.00) SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL7259157 0.88 ADRA1D (0.90) SLC6A4ADRA1DCYP2D6
SCHEMBL14280709 0.88 ADRA1D (0.80) SLC6A4ADRA1DCYP2D6
SCHEMBL14306777 0.87 ADRA1D (0.80) SLC6A4ADRA1DCYP2D6
SCHEMBL7259959 0.86 ADRA1D (0.78) SLC6A4ADRA1DCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 EP disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 WO 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-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 SLC6A4 1968/4885ADRA1D 95/4885CYP2D6 3568/4885

“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.