SCHEMBL4404867

SCHEMBL4404867

COc1cc2nc(N3CCNCC3)nc(-c3ccccc3F)c2cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
APAF1 O14727 1/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
UBE2N P61088 1/20 0.60
WHR1 P49842 1/20 0.55
HTR2A P28223 2/20 0.47
S1PR2 O95136 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NCF1 P14598 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
NPY1R P25929 1/20 0.45
NPY5R Q15761 1/20 0.45

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
SCHEMBL8278143 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL5787992 0.83 HTR2A (0.53) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL5787458 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHTR2AS1PR2
SCHEMBL5790102 0.81 ALDH1A1 (0.69) KDM4EALDH1A1HPGDMAPTHTR2A
Hydrochloric Acid SCHEMBL5789717 0.80 ALDH1A1 (0.67) KDM4EALDH1A1HPGDMAPTHTR2A
SCHEMBL5785682 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDPOLBMAPT
SCHEMBL5788948 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL27062763 0.78 ALDH1A1 (0.56) KDM4EALDH1A1HPGDAPAF1POLB
Hydrochloric Acid SCHEMBL5787241 0.77 ALDH1A1 (0.63) KDM4EALDH1A1HPGDAPAF1POLB
SCHEMBL5788049 0.77 ALDH1A1 (0.63) KDM4EALDH1A1HPGDPOLBHTR2A

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-1755611-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS Pfizer Products Inc. (US) 2007-02-28 EP claimed
WO-2005120514-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-12-22 WO claimed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
EP-1755611-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2005120514-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-12-22 WO 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-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PDE5A, PDE12, PDE2A KDM4E 2074/4885ALDH1A1 1271/4885HPGD 564/4885

“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.