SCHEMBL3272500

SCHEMBL3272500

CSc1ccc(C2(C#N)CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
MMP1 P03956 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL10317539 0.88 OPRM1 (0.46) OPRM1SLC6A4SLC6A3
SCHEMBL5161690 0.81 SLC6A4 (0.36) OPRM1SLC6A4SLC6A3
SCHEMBL7809060 0.81 KMT2A (0.41) OPRM1
SCHEMBL13594179 0.81 OPRM1 (0.60) OPRM1
SCHEMBL21964253 0.80 OPRM1 (0.41) OPRM1SLC6A4SLC6A3
SCHEMBL625655 0.77 OPRM1 (0.40) OPRM1
SCHEMBL3903587 0.77 OPRM1 (0.40) OPRM1
SCHEMBL625403 0.77 OPRM1 (0.58) OPRM1
SCHEMBL3237390 0.77 OPRM1 (0.40) OPRM1
SCHEMBL3270477 0.77 OPRM1 (0.40) OPRM1

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-1747210-B1 3- OR 4-MONOSUBSTITUTED PHENOL AND THIOPHENOL DERIVATIVES USEFUL AS H3 LIGANDS WARNER LAMBERT CO (US) 2010-06-30 EP disclosed
US-7456164-B2 Useful for treatment of H3-related diseases such as neurologic disorders, or inflammatory, respiratory and allergic diseases, disorders and conditions; for example, 4-[4-(1-isopropylpiperidin-4-yloxy)phenyl]tetrahydropyran-4-carbonitrile; well absorbed from gastrointestinal tract, metabolically stable PFIZER, INC (US) 2008-11-25 US disclosed
US-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US 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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands HRH4, HRH3, TLR4 OPRM1 1739/4885SLC6A4 2629/4885SLC6A3 2491/4885

“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.