SCHEMBL2071296

SCHEMBL2071296

Cc1nc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(C#N)cc1F

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.57
USP30 Q70CQ3 4/20 0.47
PDE10A Q9Y233 2/20 0.44
RET P07949 2/20 0.44
GABRA5 P31644 4/20 0.44
ADORA3 P0DMS8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL2073833 0.92 HPGDS (0.55) HPGDSUSP30PDE10ARETGABRA5
SCHEMBL2071109 0.90 HPGDS (0.59) HPGDSUSP30PDE10ARETGABRA5
SCHEMBL2073092 0.86 HPGDS (0.58) HPGDSUSP30PDE10ARETGABRA5
SCHEMBL2073405 0.86 HPGDS (0.62) HPGDSUSP30RETGABRA5ADORA3
SCHEMBL2071279 0.85 HPGDS (0.61) HPGDSUSP30RETGABRA5ADORA3
SCHEMBL2072753 0.84 HPGDS (0.64) HPGDSUSP30PDE10AGABRA5GRM5
SCHEMBL2073348 0.84 HPGDS (0.60) HPGDSUSP30PDE10AGABRA5ADORA3
SCHEMBL2071446 0.83 HPGDS (0.63) HPGDSUSP30PDE10AGABRA5ADORA3
SCHEMBL2073124 0.83 HPGDS (0.51) HPGDSUSP30PDE10AGABRA5ADORA3
SCHEMBL2071720 0.82 HPGDS (0.61) HPGDSUSP30RETGABRA5ADORA3

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 984/4885USP30 4416/4885PDE10A 777/4885

“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.