SCHEMBL2071776

SCHEMBL2071776

COc1ccc(C(C)N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.58
WNT3A P56704 3/20 0.45
MCHR1 Q99705 1/20 0.44
ROCK2 O75116 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
AKT1 P31749 1/20 0.43
PRKG1 Q13976 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GABRA5 P31644 1/20 0.42
CCR3 P51677 2/20 0.41
GRM5 P41594 1/20 0.41
USP30 Q70CQ3 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL2072849 0.92 HPGDS (0.60) HPGDSWNT3AMCHR1ALDH1A1GABRA5
SCHEMBL2072046 0.89 HPGDS (0.60) HPGDSWNT3AMCHR1ROCK2PRKACA
SCHEMBL2070384 0.88 HPGDS (0.62) HPGDSWNT3AMCHR1ROCK2PRKACA
SCHEMBL2071728 0.88 HPGDS (0.61) HPGDSWNT3AMCHR1ALDH1A1GABRA5
SCHEMBL2070416 0.87 HPGDS (0.60) HPGDSWNT3AMCHR1ROCK2PRKACA
SCHEMBL2070830 0.86 HPGDS (0.58) HPGDSWNT3AMCHR1ALDH1A1GABRA5
SCHEMBL2071346 0.85 HPGDS (0.60) HPGDSWNT3AMCHR1GABRA5CCR3
SCHEMBL2073206 0.83 HPGDS (0.65) HPGDSWNT3AMCHR1ALDH1A1CCR3
SCHEMBL2071686 0.83 HPGDS (0.65) HPGDSWNT3AMCHR1GABRA5USP30
SCHEMBL2072716 0.83 HPGDS (0.61) HPGDSWNT3AALDH1A1GABRA5USP30

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 984/4885WNT3A 3094/4885MCHR1 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.