SCHEMBL2071036

SCHEMBL2071036

O=C(NC1CCN(c2nnnn2CC2CC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.61
USP30 Q70CQ3 1/20 0.43
MAP4K4 O95819 1/20 0.42
GABRA5 P31644 3/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
GRM5 P41594 1/20 0.41
CYP2C9 P11712 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 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
SCHEMBL5061048 0.90 HPGDS (0.61) HPGDSUSP30MAP4K4GABRA5ALDH1A1
SCHEMBL2070062 0.86 HPGDS (0.63) HPGDSUSP30MAP4K4GABRA5ALDH1A1
SCHEMBL2071903 0.85 HPGDS (0.61) HPGDSUSP30MAP4K4GABRA5ALDH1A1
SCHEMBL2072348 0.85 HPGDS (0.55) HPGDSUSP30
SCHEMBL2070308 0.84 HPGDS (0.60) HPGDSUSP30ALDH1A1POLBDRD2
SCHEMBL2070370 0.84 HPGDS (0.78) HPGDSUSP30MAP4K4GABRA5DRD2
SCHEMBL2070272 0.84 HPGDS (0.54) HPGDSGABRA5ALDH1A1POLBDRD2
SCHEMBL2073158 0.84 HPGDS (0.57) HPGDSALDH1A1POLBDRD2DRD4
SCHEMBL2070154 0.83 HPGDS (0.58) HPGDSUSP30MAP4K4GABRA5ALDH1A1
SCHEMBL2073193 0.82 HPGDS (0.57) HPGDSUSP30MAP4K4GABRA5ALDH1A1

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 4416/4885MAP4K4 1602/4885

“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.