SCHEMBL3271437

SCHEMBL3271437

CN(C)CC1(c2ccc(OCCCCl)cc2)CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SLC6A4 P31645 15/20 0.44
SLC6A3 Q01959 15/20 0.44
SLC6A2 P23975 8/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRL1 P41146 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
SCHEMBL3277469 0.89 ALDH1A1 (0.49) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3271784 0.88 LMNA (0.48) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL6268130 0.86 ALDH1A1 (0.42) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3270606 0.85 HRH3 (0.47) LMNAALDH1A1SLC6A4SLC6A3CYP1A2
SCHEMBL3270444 0.84 HRH3 (0.60) LMNAALDH1A1CYP1A2HRH3
SCHEMBL4837392 0.84 ALDH1A1 (0.41) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3271881 0.83 HRH3 (0.47) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL3271106 0.83 HRH3 (0.64) LMNAALDH1A1CYP1A2HRH3
SCHEMBL3277540 0.82 HRH3 (0.66) LMNAALDH1A1CYP1A2HRH3
SCHEMBL4837404 0.82 LMNA (0.40) LMNAALDH1A1SLC6A4SLC6A3SLC6A2

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 LMNA 4730/4885ALDH1A1 832/4885SLC6A4 2629/4885

“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.