SCHEMBL2071806

SCHEMBL2071806

COc1cccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)c1OC

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.65
DRD3 P35462 1/20 0.53
ALDH1A1 P00352 1/20 0.51
SSTR5 P35346 6/20 0.50
WNT3A P56704 1/20 0.49
CCR3 P51677 2/20 0.48
HTR7 P34969 1/20 0.48
SLC6A12 P48065 1/20 0.48
ACHE P22303 1/20 0.47
HTR2C P28335 1/20 0.47
MCHR1 Q99705 1/20 0.47

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
SCHEMBL2071635 0.94 HPGDS (0.62) HPGDSDRD3ALDH1A1SSTR5WNT3A
SCHEMBL2072522 0.94 HPGDS (0.62) HPGDSDRD3ALDH1A1SSTR5WNT3A
SCHEMBL2073023 0.94 HPGDS (0.67) HPGDSALDH1A1SSTR5WNT3ACCR3
SCHEMBL2071100 0.93 HPGDS (0.68) HPGDSDRD3ALDH1A1SSTR5WNT3A
SCHEMBL2070747 0.92 HPGDS (0.60) HPGDSDRD3ALDH1A1SSTR5WNT3A
SCHEMBL2072520 0.91 HPGDS (0.62) HPGDSDRD3ALDH1A1SSTR5WNT3A
SCHEMBL2073556 0.89 HPGDS (0.67) HPGDSALDH1A1SSTR5WNT3ACCR3
SCHEMBL2073206 0.88 HPGDS (0.65) HPGDSALDH1A1SSTR5WNT3ACCR3
SCHEMBL2071292 0.88 HPGDS (0.65) HPGDSALDH1A1WNT3ACCR3ACHE
SCHEMBL2071209 0.88 HPGDS (0.64) HPGDSALDH1A1SSTR5WNT3ACCR3

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 984/4885DRD3 2441/4885ALDH1A1 148/4885

“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.