SCHEMBL2072932

SCHEMBL2072932

Cc1nn(-c2ccccc2)c(C)c1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.62
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
PRKAA2 P54646 3/20 0.47
PRKAB2 O43741 2/20 0.47
PRKAG1 P54619 2/20 0.47
PRKAA1 Q13131 2/20 0.47
PRKAG3 Q9UGI9 2/20 0.47
PRKAG2 Q9UGJ0 2/20 0.47
PRKAB1 Q9Y478 2/20 0.47
ALPL P05186 2/20 0.46
ALPI P09923 2/20 0.46
ALPG P10696 2/20 0.46
CHRM4 P08173 1/20 0.46
KMT2A Q03164 1/20 0.45
GABRA5 P31644 3/20 0.45
P2RX7 Q99572 1/20 0.45
HTR7 P34969 2/20 0.44
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44

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
SCHEMBL2071407 0.95 HPGDS (0.62) HPGDSDRD2DRD4PRKAA2ALPL
SCHEMBL2071891 0.89 HPGDS (0.66) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071571 0.88 HPGDS (0.64) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2071474 0.87 HPGDS (0.66) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2072832 0.87 HPGDS (0.63) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2070199 0.87 HPGDS (0.63) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2072776 0.85 HPGDS (0.61) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2072620 0.84 HPGDS (0.64) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL13610005 0.83 HPGDS (0.75) HPGDSDRD2DRD4PRKAA2PRKAB2
SCHEMBL2073241 0.83 HPGDS (0.75) HPGDSDRD2DRD4PRKAA2PRKAB2

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 984/4885DRD2 2709/4885DRD4 3159/4885

“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.