SCHEMBL2072897

SCHEMBL2072897

CCOc1cccc(-n2nnnc2N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.56
ALDH1A1 P00352 7/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.45
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR6 P50406 1/20 0.43
TSHR P16473 1/20 0.42
GABRA5 P31644 1/20 0.42
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SSTR5 P35346 1/20 0.41

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
SCHEMBL2071136 0.91 HPGDS (0.54) HPGDSALDH1A1POLBGAAMEN1
SCHEMBL2070308 0.89 HPGDS (0.60) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2073795 0.88 HPGDS (0.55) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2073193 0.87 HPGDS (0.57) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2070849 0.85 HPGDS (0.55) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2070062 0.83 HPGDS (0.63) HPGDSALDH1A1POLBGABRA5
SCHEMBL2070154 0.83 HPGDS (0.58) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2071903 0.82 HPGDS (0.61) HPGDSALDH1A1POLBGABRA5
SCHEMBL2070049 0.81 HPGDS (0.53) HPGDSALDH1A1POLBMEN1KMT2A
SCHEMBL2073158 0.81 HPGDS (0.57) HPGDSALDH1A1POLBMEN1KMT2A

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 984/4885ALDH1A1 148/4885POLB 2232/4885

“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.