SCHEMBL2071847

SCHEMBL2071847

CCOC(=O)c1cnc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.54
GABRA5 P31644 4/20 0.46
WNT3A P56704 3/20 0.46
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
POLB P06746 1/20 0.42
USP30 Q70CQ3 2/20 0.42
PIK3CA P42336 1/20 0.41
HTR2A P28223 1/20 0.41
DRD3 P35462 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2070380 0.82 HPGDS (0.60) HPGDSGABRA5USP30
SCHEMBL2072704 0.80 HPGDS (0.59) HPGDSGABRA5
SCHEMBL2072599 0.80 HPGDS (0.60) HPGDSGABRA5WNT3APOLBUSP30
SCHEMBL2072337 0.78 HPGDS (0.62) HPGDSGABRA5USP30
SCHEMBL2073448 0.77 HPGDS (0.61) HPGDSGABRA5WNT3AUSP30
SCHEMBL2070824 0.77 HPGDS (0.67) HPGDSWNT3AUSP30
SCHEMBL2072669 0.77 HPGDS (0.62) HPGDSWNT3AUSP30
SCHEMBL2070763 0.77 HPGDS (0.62) HPGDSGABRA5WNT3AUSP30NPC1
SCHEMBL2070138 0.76 HPGDS (0.64) HPGDSGABRA5USP30NPC1
SCHEMBL16496137 0.76 HPGDS (0.67) HPGDSGABRA5WNT3A

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 984/4885GABRA5 1998/4885WNT3A 3094/4885

“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.