SCHEMBL2070542

SCHEMBL2070542

O=C(NC1CCN(c2cc(OCc3ccccn3)ncn2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.57
GABRA5 P31644 3/20 0.46
METTL3 Q86U44 1/20 0.43
DRD4 P21917 2/20 0.42
USP30 Q70CQ3 1/20 0.42
WNT3A P56704 1/20 0.41
HTR7 P34969 1/20 0.41
DRD2 P14416 1/20 0.40
SMO Q99835 1/20 0.40
GRM5 P41594 1/20 0.40
CHRM4 P08173 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL2071348 0.87 HPGDS (0.55) HPGDSGABRA5METTL3USP30WNT3A
SCHEMBL2071695 0.86 HPGDS (0.61) HPGDSGABRA5METTL3USP30WNT3A
SCHEMBL2071452 0.82 HPGDS (0.71) HPGDSDRD4USP30HTR7DRD2
SCHEMBL2070224 0.80 HPGDS (0.70) HPGDSGABRA5USP30GRM5
SCHEMBL2072769 0.80 HPGDS (0.57) HPGDSGABRA5METTL3USP30WNT3A
SCHEMBL2073046 0.80 HPGDS (0.60) HPGDSUSP30WNT3ASMOCKS1B
SCHEMBL2070530 0.79 HPGDS (0.66) HPGDSGABRA5USP30SMOGRM5
SCHEMBL2072386 0.78 HPGDS (0.57) HPGDSGABRA5DRD4
SCHEMBL2071398 0.78 HPGDS (0.65) HPGDSGABRA5DRD4USP30DRD2
SCHEMBL2072095 0.78 HPGDS (0.58) HPGDSGABRA5METTL3DRD4USP30

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 1998/4885METTL3 4095/4885

“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.