SCHEMBL2071250

SCHEMBL2071250

O=C(NC1CN(c2ncc3ccc(F)cc3n2)CC1O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.48
PDE10A Q9Y233 5/20 0.44
PDE2A O00408 3/20 0.44
HDAC2 Q92769 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
HTR2C P28335 2/20 0.37
MCHR1 Q99705 2/20 0.37
WNT3A P56704 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
MAP4K4 O95819 1/20 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
SCHEMBL2071257 1.00 HPGDS (0.48) HPGDSPDE10APDE2AHDAC2HCRTR1
SCHEMBL2071253 1.00 HPGDS (0.48) HPGDSPDE10APDE2AHDAC2HCRTR1
SCHEMBL2073961 0.85 HPGDS (0.64) HPGDSMAP4K4GRM5USP30
SCHEMBL2070318 0.82 HCRTR1 (0.53) HPGDSPDE10AHCRTR1HCRTR2WNT3A
SCHEMBL2070314 0.82 HCRTR1 (0.53) HPGDSPDE10AHCRTR1HCRTR2WNT3A
SCHEMBL2070316 0.82 HCRTR1 (0.53) HPGDSPDE10AHCRTR1HCRTR2WNT3A
SCHEMBL14190154 0.81 HPGDS (0.56) HPGDSWNT3AMAP4K4GRM5USP30
SCHEMBL2072116 0.80 HPGDS (0.47) HPGDSHCRTR1HCRTR2WNT3AHDAC11
SCHEMBL2072120 0.80 HPGDS (0.47) HPGDSHCRTR1HCRTR2WNT3AHDAC11
SCHEMBL2072119 0.80 HPGDS (0.47) HPGDSHCRTR1HCRTR2WNT3AHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885PDE10A 777/4885PDE2A 756/4885

“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.