SCHEMBL12844151

SCHEMBL12844151

CCCc1cnn(CC)c1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
HPGD P15428 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 2/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1360737 0.83 HPGD (0.49) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1360946 0.79 HTT (0.44) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1840771 0.79 HTT (0.44) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23401071 0.78 HTT (0.36) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL9965027 0.77 MAPK1 (0.35) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL12775771 0.76 HTT (0.42) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1719143 0.76 HPGD (0.51) HTTHPGDSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL22468806 0.75 HPGD (0.50) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL22480397 0.73 HTT (0.40) HTTHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1360243 0.73

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 HTT 3053/4885HPGD 18/4885SMN1; SMN2 1371/4885

“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.