SCHEMBL2073525

SCHEMBL2073525

COCc1cc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc(-c2csc(C)n2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.53
GABRA5 P31644 4/20 0.43
SMO Q99835 1/20 0.39
NPC1 O15118 2/20 0.39
MLNR O43193 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
WNT3A P56704 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL2072095 0.89 HPGDS (0.58) HPGDSGABRA5SMONPC1ALDH1A1
SCHEMBL2070763 0.78 HPGDS (0.62) HPGDSGABRA5SMONPC1RAB9A
SCHEMBL2072731 0.77 HPGDS (0.61) HPGDSGABRA5ALDH1A1SMN1; SMN2PDE10A
SCHEMBL2069969 0.77 HPGDS (0.61) HPGDSGABRA5
SCHEMBL2073095 0.76 HPGDS (0.69) HPGDSDRD2DRD4
SCHEMBL2073448 0.75 HPGDS (0.61) HPGDSGABRA5SMOWNT3A
SCHEMBL2071695 0.75 HPGDS (0.61) HPGDSGABRA5KMT2AWNT3AALDH1A1
SCHEMBL2072952 0.75 HPGDS (0.66) HPGDSALDH1A1MAPTDRD2DRD4
SCHEMBL2071033 0.75 HPGDS (0.58) HPGDSGABRA5WNT3AALDH1A1
SCHEMBL2072800 0.75 HPGDS (0.58) HPGDSALDH1A1SMN1; SMN2PDE10A

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 1998/4885SMO 1387/4885

“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.