SCHEMBL2070306

SCHEMBL2070306

COc1ccc2nccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.60
KCNH2 Q12809 7/20 0.60
SLC2A1 P11166 1/20 0.46
HTR2C P28335 1/20 0.46
MCHR1 Q99705 1/20 0.46
GABRA5 P31644 1/20 0.45
CCR3 P51677 2/20 0.45
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL2072073 0.87 HPGDS (0.69) HPGDSKCNH2HTR2CMCHR1CCR3
SCHEMBL2072687 0.87 HPGDS (0.61) HPGDSKCNH2SLC2A1CCR3
SCHEMBL2070394 0.84 HPGDS (0.67) HPGDSHTR2CMCHR1CCR3
SCHEMBL2073482 0.84 HPGDS (0.67) HPGDSHTR2CMCHR1CCR3
SCHEMBL2071186 0.84 HPGDS (0.69) HPGDSMCHR1GABRA5CCR3
SCHEMBL2071100 0.84 HPGDS (0.68) HPGDSMCHR1CCR3
SCHEMBL2071351 0.83 HPGDS (0.65) HPGDSHTR2CMCHR1GABRA5CCR3
SCHEMBL2072603 0.83 HPGDS (0.67) HPGDSHTR2CMCHR1CCR3
SCHEMBL2073023 0.83 HPGDS (0.67) HPGDSCCR3
SCHEMBL2073816 0.82 HPGDS (0.66) HPGDSKCNH2MCHR1CCR3

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 984/4885KCNH2 2124/4885SLC2A1 669/4885

“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.