SCHEMBL2073023

SCHEMBL2073023

COc1ccccc1CN1CCC(NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.67
ALDH1A1 P00352 1/20 0.52
HTR7 P34969 1/20 0.51
WNT3A P56704 1/20 0.51
SSTR5 P35346 6/20 0.50
CCR3 P51677 3/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL2071100 0.96 HPGDS (0.68) HPGDSALDH1A1HTR7WNT3ASSTR5
SCHEMBL2071806 0.94 HPGDS (0.65) HPGDSALDH1A1HTR7WNT3ASSTR5
SCHEMBL2070312 0.93 HPGDS (0.66) HPGDSHTR7SSTR5USP2DRD2
SCHEMBL2071635 0.91 HPGDS (0.62) HPGDSALDH1A1HTR7WNT3ASSTR5
SCHEMBL2071292 0.91 HPGDS (0.65) HPGDSALDH1A1WNT3ACCR3DRD4
SCHEMBL2073206 0.91 HPGDS (0.65) HPGDSALDH1A1WNT3ASSTR5CCR3
SCHEMBL2071209 0.91 HPGDS (0.64) HPGDSALDH1A1HTR7WNT3ASSTR5
SCHEMBL2071120 0.91 HPGDS (0.64) HPGDSHTR7SSTR5DRD2DRD4
SCHEMBL2073790 0.91 HPGDS (0.66) HPGDSHTR7SSTR5CCR3DRD2
SCHEMBL2072522 0.91 HPGDS (0.62) HPGDSALDH1A1HTR7WNT3ASSTR5

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 148/4885HTR7 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.