SCHEMBL6678765

SCHEMBL6678765

C1CCN(CCCSCCCN2CCCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.62
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH1 P35367 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL22271407 0.95 HRH3 (0.55) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL7850426 0.92 HRH3 (0.67) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL27528159 0.90 HRH3 (0.71) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL20389744 0.86 HRH3 (0.52) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL8966734 0.84 HRH3 (0.45) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL4173915 0.83 HRH3 (0.52) HRH3ALDH1A1TSHRCYP1A2MAPK1
SCHEMBL12055886 0.81 ALDH1A1 (0.50) HRH3ALDH1A1TSHRCYP1A2MAPK1
Iodide SCHEMBL8913693 0.81 HRH3 (0.46) HRH3KDM4E
Iodide SCHEMBL8914421 0.81 HRH3 (0.46) HRH3KDM4E
SCHEMBL17209067 0.80 HRH3 (0.56) HRH3ALDH1A1TSHRCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6770661-B2 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2004-08-03 US disclosed
EP-1432424-A1 HETEROCYCLIC SUBSTITUTED 2- (4-PHENOXY) PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF NEURONAL DAMAGE AND NEURODEGENERATIVE CONDITIONS Euro-Celtique S.A. (LU) 2004-06-30 EP disclosed
US-20030073724-A1 Aryl substituted pyridines and their use PURDUE PHARMA L.P. 2003-04-17 US disclosed
WO-2003022285-A1 HETEROCYCLIC SUBSTITUTED 2- (4-PHENOXY) PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF NEURONAL DAMAGE AND NEURODEGENERATIVE CONDITIONS EURO-CELTIQUE S.A. (LU) 2003-03-20 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-20030073724-A1 Aryl substituted pyridines and their use CACNA1S, SCN1A, SMN1; SMN2 HRH3 1689/4885ALDH1A1 32/4885TSHR 883/4885

“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.