SCHEMBL14798997

SCHEMBL14798997

COC(=O)c1ccc(NS(=O)(=O)CCCN2CCN(C)CC2)c(OCC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2C P18825 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR1D P28221 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR2B P41595 1/20 0.42
HTR3A P46098 1/20 0.42
NMT1 P30419 1/20 0.40
WNT3A P56704 1/20 0.39
DRD3 P35462 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PDE4B Q07343 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37

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
SCHEMBL14798347 0.90 HTR4 (0.41) HTR4CHRM4CHRM5ADRA2CCHRM3
Lithium Ion SCHEMBL14798689 0.90 WNT3A (0.38) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14799048 0.85 KDM4E (0.43) ALDH1A1KDM4EMAPTHPGDPDE4B
SCHEMBL14799060 0.85 WNT3A (0.41) HTR4CHRM4CHRM5ADRA2CCHRM3
SCHEMBL14798398 0.84 KDM4E (0.42) ALDH1A1KDM4EMAPTHPGDPDE4B
SCHEMBL15753933 0.81 CYP2C9 (0.49) WNT3ADRD3HRH3ALDH1A1KDM4E
SCHEMBL15754377 0.81 KDM4E (0.42) ALDH1A1KDM4EMAPTHPGDPDE4B
SCHEMBL2762046 0.79 CYP19A1 (0.55) ALDH1A1KDM4EMAPTHPGDPDE4B
SCHEMBL15754614 0.77 KDM4E (0.43) NMT1WNT3ADRD3HRH3ALDH1A1
SCHEMBL14798999 0.77 HTR4 (0.39) HTR4CHRM4CHRM5ADRA2CCHRM3

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
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
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-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.