SCHEMBL2072052

SCHEMBL2072052

O=C(NC1CCN(Cc2ccc3ncccc3c2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.65
CCR3 P51677 7/20 0.56
MCHR1 Q99705 7/20 0.55
CXCR4 P61073 1/20 0.55
ACKR3 P25106 1/20 0.51
HTR2C P28335 1/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
SMO Q99835 1/20 0.49

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
SCHEMBL2070319 0.90 HPGDS (0.67) HPGDSCCR3MCHR1CXCR4ACKR3
SCHEMBL2073034 0.88 HPGDS (0.70) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2073487 0.88 HPGDS (0.70) HPGDSCCR3MCHR1HTR2CDRD2
SCHEMBL2072113 0.87 HPGDS (0.69) HPGDSCCR3MCHR1CXCR4DRD2
SCHEMBL2071799 0.87 HPGDS (0.71) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2071543 0.86 HPGDS (0.66) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2072048 0.86 HPGDS (0.68) HPGDSCCR3MCHR1HTR2CDRD2
SCHEMBL2070489 0.86 HPGDS (0.73) HPGDSCCR3MCHR1DRD2DRD4
SCHEMBL2072461 0.85 HPGDS (0.65) HPGDSCCR3MCHR1HTR2CDRD2
SCHEMBL2069994 0.85 HPGDS (0.65) HPGDSCCR3MCHR1HTR2CDRD2

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 984/4885CCR3 2034/4885MCHR1 3698/4885

“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.