SCHEMBL3272386

SCHEMBL3272386

CC(CCOc1ccc(C2(C#N)CCOCC2)cc1)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.38
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
OPRM1 P35372 3/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 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
SCHEMBL3277316 0.80 HRH3 (0.58) HRH3PSMB1PSMB5PSMB2HRH2
SCHEMBL3270790 0.79 HRH3 (0.67) HRH3SIGMAR1HRH2HRH1ALDH1A1
SCHEMBL3274834 0.79 HRH3 (0.63) HRH3SIGMAR1HRH2HRH1ALDH1A1
SCHEMBL3277920 0.79 HRH3 (0.42) CYP3A4CYP2D6NPSR1HRH3SIGMAR1
SCHEMBL3270414 0.79 CYP2D6 (0.49) POLBCYP3A4CYP2D6NPSR1HRH3
SCHEMBL13309548 0.78 HRH3 (0.62) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL3272461 0.78 HRH3 (0.69) HRH3PSMB1PSMB5PSMB2HRH2
SCHEMBL3275611 0.78 HRH3 (0.69) HRH3PSMB1PSMB5PSMB2HRH2
SCHEMBL3271415 0.77 HRH3 (0.61) HRH3MEN1KMT2AHRH2HRH1
SCHEMBL3277449 0.76 POLB (0.44) POLBCYP3A4CYP2D6NPSR1HRH3

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 7 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
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-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-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
EP-1593679-A1 3- Or 4-monosubstituted phenol derivatives useful as H3 ligands Warner-Lambert Company LLC (US) 2005-11-09 EP 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 POLB 2640/4885CYP3A4 104/4885CYP2D6 757/4885

“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.