SCHEMBL3855451

SCHEMBL3855451

CCC(N)(CC)CCC(C)(C)N

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.35
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL18784094 0.87 TSHR (0.33) TSHRTDP1
SCHEMBL58748 0.79 GRM4 (0.45) GRM4
SCHEMBL20653669 0.79 TSHR (0.32) TSHRTDP1
SCHEMBL13573833 0.75 GRM4 (0.35) GRM4TSHRTDP1
SCHEMBL18784093 0.75 GRM4 (0.35) GRM4TSHRTDP1
SCHEMBL19154799 0.75 GRM4 (0.35) GRM4TSHRTDP1
SCHEMBL193494 0.73
SCHEMBL351150 0.73 TSHR (0.32) TSHRTDP1
Hydrochloric Acid SCHEMBL28081617 0.73 GRM4 (0.33) GRM4TSHRTDP1
SCHEMBL14420440 0.72 GRM4 (0.41) GRM4

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
EP-1687275-A4 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO INC (US) 2009-01-14 EP disclosed
US-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain AGT SCIENCE LIMITED (GB) 2007-05-03 US disclosed
EP-1687275-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN Merck & Co., Inc. (US) 2006-08-09 EP disclosed
WO-2005051915-A1 PYRIDIN-4-YLAMINE COMPOUNDS USEFUL IN THE TREATMENT OF NEUROPATHIC PAIN MERCK & CO., INC. (US) 2005-06-09 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-20070099950-A1 Pyridin-4-ylamine compounds useful in the treatment of neuropathic pain PER2, CNR2, OPRD1 GRM4 382/4885TSHR 2706/4885TDP1 1606/4885

“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.