SCHEMBL2073082

SCHEMBL2073082

COCC(C)n1nnnc1N1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.57
GABRA5 P31644 3/20 0.42
WNT3A P56704 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MLNR O43193 1/20 0.41
HTR7 P34969 1/20 0.41
GRM5 P41594 1/20 0.40
NPR1 P16066 1/20 0.40
USP30 Q70CQ3 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 0.90 HPGDS (0.61) HPGDSGABRA5WNT3AALDH1A1POLB
SCHEMBL2073136 0.87 HPGDS (0.57) HPGDSGABRA5ALDH1A1POLBHTR7
SCHEMBL2071769 0.86 HPGDS (0.57) HPGDSGABRA5ALDH1A1POLBUSP30
SCHEMBL2070062 0.85 HPGDS (0.63) HPGDSGABRA5ALDH1A1POLBGRM5
SCHEMBL2070272 0.82 HPGDS (0.54) HPGDSGABRA5WNT3AALDH1A1POLB
SCHEMBL5061048 0.82 HPGDS (0.61) HPGDSGABRA5ALDH1A1POLBHTR7
SCHEMBL2071036 0.82 HPGDS (0.61) HPGDSGABRA5ALDH1A1POLBGRM5
SCHEMBL2070308 0.81 HPGDS (0.60) HPGDSALDH1A1POLBUSP30
SCHEMBL2073158 0.81 HPGDS (0.57) HPGDSALDH1A1POLB
SCHEMBL2073193 0.81 HPGDS (0.57) HPGDSGABRA5ALDH1A1POLBUSP30

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 984/4885GABRA5 1998/4885WNT3A 3094/4885

“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.