SCHEMBL2070822

SCHEMBL2070822

Cc1ccc(-c2c(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cnn2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.62
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
POLB P06746 1/20 0.45
HTR2C P28335 1/20 0.44
MCHR1 Q99705 1/20 0.44
SSTR5 P35346 3/20 0.44
PDE10A Q9Y233 1/20 0.43
GABRA5 P31644 2/20 0.43
ALPL P05186 1/20 0.43
MLNR O43193 1/20 0.43
WNT3A P56704 1/20 0.43
HTR7 P34969 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 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
SCHEMBL2072781 0.95 HPGDS (0.64) HPGDSDRD4DRD2POLBHTR2C
SCHEMBL2071465 0.94 HPGDS (0.65) HPGDSDRD4DRD2POLBHTR2C
SCHEMBL2072477 0.94 HPGDS (0.67) HPGDSDRD4DRD2POLBHTR2C
SCHEMBL2071634 0.92 HPGDS (0.60) HPGDSDRD4DRD2POLBMCHR1
SCHEMBL2071411 0.90 HPGDS (0.67) HPGDSDRD4DRD2POLBHTR2C
SCHEMBL2072712 0.89 HPGDS (0.61) HPGDSDRD4DRD2POLBMCHR1
SCHEMBL2069964 0.89 HPGDS (0.65) HPGDSDRD4POLBMCHR1WNT3A
SCHEMBL2071817 0.88 HPGDS (0.58) HPGDSDRD4DRD2POLBSSTR5
SCHEMBL2073161 0.86 HPGDS (0.68) HPGDSDRD4DRD2HTR2CMCHR1
SCHEMBL2071209 0.84 HPGDS (0.64) HPGDSPOLBSSTR5GABRA5WNT3A

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 984/4885DRD4 3159/4885DRD2 2709/4885

“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.