SCHEMBL3271995

SCHEMBL3271995

CC(C)N1CC(COc2ccc(C3(CO)CCOCC3)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GRM2 Q14416 1/20 0.36
ACACB O00763 5/20 0.35
ALOX5 P09917 1/20 0.35
FKBP1A P62942 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3273388 0.88 HRH3 (0.40) HRH3HTTALDH1A1LMNAGRM2
SCHEMBL3273656 0.85 HRH3 (0.47) HRH3HTTALDH1A1LMNACYP1A2
SCHEMBL3271390 0.84 HRH3 (0.37) HRH3HTTALDH1A1LMNAGRM2
SCHEMBL13309623 0.83 HRH3 (0.42) HRH3HTTGRM2ACACBALOX5
SCHEMBL3277449 0.81 POLB (0.44) HRH3GRM2ACACBCYP3A4CYP2D6
SCHEMBL3272041 0.79 KDM4E (0.46) HRH3HTTALDH1A1LMNACYP1A2
SCHEMBL3276428 0.78 CYP3A4 (0.54) HRH3ALDH1A1LMNAACACBFKBP1A
SCHEMBL3276863 0.73 SLC6A4 (0.38) HRH3HTTALDH1A1LMNACYP1A2
SCHEMBL3271026 0.71 OPRM1 (0.37) HRH3ALDH1A1LMNAMAPTRAB9A
SCHEMBL12030778 0.71 HRH3 (0.58) HRH3LMNAGRM2

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-20050267095-A1 3- or 4-monosubstituted phenol and thiophenol derivatives useful as H3 ligands ZIARCO INC. 2005-12-01 US claimed
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 HRH3 2/4885HTT 1140/4885ALDH1A1 832/4885

“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.