SCHEMBL2072669

SCHEMBL2072669

CCN(CC)C(=O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.62
EPHX2 P34913 1/20 0.48
SMO Q99835 1/20 0.47
MLNR O43193 2/20 0.46
WNT3A P56704 2/20 0.46
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
USP30 Q70CQ3 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL2071105 0.94 HPGDS (0.58) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2070793 0.93 HPGDS (0.61) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2070310 0.90 HPGDS (0.60) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2073957 0.88 HPGDS (0.60) HPGDSEPHX2SMOMLNRUSP30
SCHEMBL2070247 0.88 HPGDS (0.58) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2070532 0.88 HPGDS (0.60) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2072821 0.87 HPGDS (0.59) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2070824 0.87 HPGDS (0.67) HPGDSSMOWNT3ACKS1BSKP1
SCHEMBL2071952 0.86 HPGDS (0.58) HPGDSEPHX2SMOMLNRWNT3A
SCHEMBL2071908 0.86 HPGDS (0.58) HPGDSEPHX2SMOMLNRWNT3A

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 984/4885EPHX2 2158/4885SMO 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.