SCHEMBL2072849

SCHEMBL2072849

COc1ccccc1C(C)N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.60
WNT3A P56704 5/20 0.47
HTR7 P34969 2/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 2/20 0.46
USP30 Q70CQ3 1/20 0.45
MCHR1 Q99705 1/20 0.44
GABRA5 P31644 1/20 0.44
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
GRM5 P41594 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 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
SCHEMBL2071728 0.92 HPGDS (0.61) HPGDSWNT3AHTR7ALDH1A1USP30
SCHEMBL2071776 0.92 HPGDS (0.58) HPGDSWNT3AALDH1A1USP30MCHR1
SCHEMBL2072716 0.89 HPGDS (0.61) HPGDSWNT3AHTR7HTR1AALDH1A1
SCHEMBL2070830 0.89 HPGDS (0.58) HPGDSWNT3AALDH1A1MCHR1GABRA5
SCHEMBL2071686 0.87 HPGDS (0.65) HPGDSWNT3AHTR7USP30MCHR1
SCHEMBL2072046 0.87 HPGDS (0.60) HPGDSWNT3AUSP30MCHR1GABRA5
SCHEMBL2070416 0.87 HPGDS (0.60) HPGDSWNT3AUSP30MCHR1GABRA5
SCHEMBL2070384 0.86 HPGDS (0.62) HPGDSWNT3AMCHR1GABRA5PRKAB2
SCHEMBL2071441 0.84 HPGDS (0.68) HPGDSWNT3AUSP30GABRA5GRM5
SCHEMBL2073023 0.83 HPGDS (0.67) HPGDSWNT3AHTR7ALDH1A1

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 3094/4885HTR7 2193/4885

“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.