SCHEMBL2071817

SCHEMBL2071817

COc1ccccc1-c1c(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)cnn1C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.58
HTR7 P34969 2/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.46
WNT3A P56704 1/20 0.45
SSTR5 P35346 6/20 0.44
CCR3 P51677 3/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 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
SCHEMBL2071465 0.91 HPGDS (0.65) HPGDSHTR7POLBSSTR5CCR3
SCHEMBL2072477 0.91 HPGDS (0.67) HPGDSHTR7POLBSSTR5CCR3
SCHEMBL2072712 0.91 HPGDS (0.61) HPGDSHTR7POLBSSTR5CCR3
SCHEMBL2072781 0.90 HPGDS (0.64) HPGDSHTR7POLBSSTR5CCR3
SCHEMBL2071634 0.90 HPGDS (0.60) HPGDSHTR7POLBALDH1A1WNT3A
SCHEMBL2069964 0.90 HPGDS (0.65) HPGDSHTR7POLBALDH1A1WNT3A
SCHEMBL2073023 0.88 HPGDS (0.67) HPGDSHTR7POLBALDH1A1WNT3A
SCHEMBL2070822 0.88 HPGDS (0.62) HPGDSHTR7POLBWNT3ASSTR5
SCHEMBL2071100 0.87 HPGDS (0.68) HPGDSHTR7ALDH1A1WNT3ASSTR5
SCHEMBL2073473 0.87 HPGDS (0.63) HPGDSHTR7ALDH1A1SSTR5CCR3

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 984/4885HTR7 2193/4885POLB 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.