SCHEMBL2072046

SCHEMBL2072046

COc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.60
MCHR1 Q99705 2/20 0.52
DRD4 P21917 1/20 0.49
ACKR3 P25106 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
AKT1 P31749 1/20 0.46
PRKG1 Q13976 1/20 0.46
CCR3 P51677 1/20 0.45
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA2 P54646 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 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
SCHEMBL2070416 0.93 HPGDS (0.60) HPGDSMCHR1DRD4ACKR3ROCK2
SCHEMBL2070384 0.93 HPGDS (0.62) HPGDSMCHR1DRD4ACKR3ROCK2
SCHEMBL2071686 0.91 HPGDS (0.65) HPGDSMCHR1DRD4ACKR3PRKAB2
SCHEMBL2070830 0.90 HPGDS (0.58) HPGDSMCHR1DRD4ACKR3PRKAB2
SCHEMBL2071776 0.89 HPGDS (0.58) HPGDSMCHR1DRD4ROCK2PRKACA
SCHEMBL2071346 0.88 HPGDS (0.60) HPGDSMCHR1DRD4CCR3PRKAB2
SCHEMBL2071728 0.87 HPGDS (0.61) HPGDSMCHR1WNT3AGABRA5USP30
SCHEMBL2072849 0.87 HPGDS (0.60) HPGDSMCHR1PRKAB2PRKAG1PRKAA2
SCHEMBL2073522 0.84 HPGDS (0.68) HPGDSMCHR1DRD4CCR3PRKAB2
SCHEMBL2071441 0.83 HPGDS (0.68) HPGDSDRD4WNT3AGABRA5USP30

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 984/4885MCHR1 3698/4885DRD4 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.