SCHEMBL2073136

SCHEMBL2073136

C[C@H](c1ccccc1)n1nnnc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.57
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
USP30 Q70CQ3 1/20 0.45
DRD4 P21917 2/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
DRD2 P14416 1/20 0.42
MAP4K4 O95819 1/20 0.41
BRD4 O60885 2/20 0.41
GABRA5 P31644 2/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
BRDT Q58F21 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL2071903 0.94 HPGDS (0.61) HPGDSALDH1A1POLBUSP30MAP4K4
SCHEMBL2071769 0.90 HPGDS (0.57) HPGDSALDH1A1POLBUSP30DRD4
SCHEMBL2073082 0.87 HPGDS (0.57) HPGDSALDH1A1POLBUSP30GABRA5
SCHEMBL2070062 0.87 HPGDS (0.63) HPGDSALDH1A1POLBUSP30MAP4K4
SCHEMBL2071686 0.87 HPGDS (0.65) HPGDSUSP30DRD4PRKAB2PRKAG1
SCHEMBL2070308 0.86 HPGDS (0.60) HPGDSALDH1A1POLBUSP30DRD4
SCHEMBL5061048 0.84 HPGDS (0.61) HPGDSALDH1A1POLBUSP30DRD4
SCHEMBL2070154 0.83 HPGDS (0.58) HPGDSALDH1A1POLBUSP30DRD4
SCHEMBL2073193 0.82 HPGDS (0.57) HPGDSALDH1A1POLBUSP30MAP4K4
SCHEMBL2071036 0.82 HPGDS (0.61) HPGDSALDH1A1POLBUSP30DRD4

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 984/4885ALDH1A1 148/4885POLB 2232/4885

“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.