SCHEMBL2073833

SCHEMBL2073833

CC(=O)c1cc(C#N)c(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.55
RXFP1 Q9HBX9 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
USP30 Q70CQ3 2/20 0.46
PDE10A Q9Y233 1/20 0.43
P2RY12 Q9H244 3/20 0.43
GABRA5 P31644 2/20 0.42
MAP4K4 O95819 1/20 0.41
RET P07949 1/20 0.41
ADORA3 P0DMS8 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
SCHEMBL2071296 0.92 HPGDS (0.57) HPGDSALDH1A1KDM4EUSP30PDE10A
SCHEMBL2071109 0.88 HPGDS (0.59) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073092 0.84 HPGDS (0.58) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073405 0.84 HPGDS (0.62) HPGDSKDM4EUSP30GABRA5RET
SCHEMBL2071279 0.83 HPGDS (0.61) HPGDSUSP30GABRA5MAP4K4RET
SCHEMBL2072753 0.82 HPGDS (0.64) HPGDSMEN1KMT2AUSP30PDE10A
SCHEMBL2073348 0.82 HPGDS (0.60) HPGDSRXFP1ALDH1A1MEN1KMT2A
SCHEMBL2071446 0.81 HPGDS (0.63) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073124 0.81 HPGDS (0.51) HPGDSUSP30PDE10AGABRA5MAP4K4
SCHEMBL2073800 0.81 HPGDS (0.56) HPGDSMEN1KMT2AKDM4EUSP30

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 984/4885RXFP1 1934/4885ALDH1A1 148/4885

“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.