SCHEMBL14798348

SCHEMBL14798348

CN1CCN(CCN(c2ccc(C(=O)OCC(=O)O)cc2OCC2CC2)S(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.39
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR1D P28221 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DRD3 P35462 1/20 0.37
THRB P10828 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
MMP13 P45452 1/20 0.36
RAB9A P51151 1/20 0.36
WNT3A P56704 1/20 0.36
JMJD6 Q6NYC1 1/20 0.36
PAX8 Q06710 1/20 0.36
SLC6A9 P48067 2/20 0.35

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
SCHEMBL14798999 0.89 HTR4 (0.39) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14805317 0.89 WNT3A (0.39) WNT3ASLC6A9PDE4BCYP19A1
SCHEMBL14799061 0.89 WNT3A (0.39) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14832725 0.89 HTR4 (0.39) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14798691 0.88 WNT3A (0.38) WNT3ASLC6A9PDE4BCYP19A1
Lithium Ion SCHEMBL14798690 0.85 TRPM8 (0.38) HTR4WNT3ASLC6A9PDE4BCYP19A1
SCHEMBL14798347 0.78 HTR4 (0.41) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14805305 0.76 CYP19A1 (0.36) THRBSLC6A9PDE4BCYP19A1
SCHEMBL27968608 0.76 HTR4 (0.38) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL17506724 0.75 PDE4A (0.62) PDE4B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760838-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-05-10 EP disclosed
EP-2760838-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-05-10 EP disclosed
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 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 (2 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-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A HTR4 325/4885CHRM4 453/4885CHRM5 1000/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A HTR4 325/4885CHRM4 453/4885CHRM5 1000/4885

“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.