SCHEMBL2070190

SCHEMBL2070190

O=C(NC1CCN(Cc2ccc(F)cc2F)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.73
MLNR O43193 1/20 0.53
CCR3 P51677 3/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
SIGMAR1 Q99720 2/20 0.50
MCHR1 Q99705 4/20 0.49
HTR2C P28335 1/20 0.49
PRKAA2 P54646 2/20 0.49
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
SLC6A12 P48065 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
HTR7 P34969 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL2073161 0.93 HPGDS (0.68) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2070493 0.93 HPGDS (0.73) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2073830 0.93 HPGDS (0.73) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2070687 0.91 HPGDS (0.70) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2071377 0.91 HPGDS (0.70) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2072774 0.91 HPGDS (0.66) HPGDSMLNRCCR3DRD4MCHR1
SCHEMBL2071281 0.91 HPGDS (0.68) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2071386 0.90 HPGDS (0.71) HPGDSMLNRCCR3DRD2DRD4
SCHEMBL2073241 0.89 HPGDS (0.75) HPGDSCCR3DRD2DRD4SIGMAR1
SCHEMBL2071461 0.88 HPGDS (0.68) HPGDSMLNRCCR3DRD2DRD4

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 984/4885MLNR 2576/4885CCR3 2034/4885

“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.