SCHEMBL2071908

SCHEMBL2071908

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

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 8/20 0.58
EPHX2 P34913 1/20 0.48
ADORA3 P0DMS8 1/20 0.45
USP30 Q70CQ3 6/20 0.44
SMO Q99835 1/20 0.44
RET P07949 1/20 0.43
MLNR O43193 1/20 0.43
WNT3A P56704 1/20 0.42

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
SCHEMBL2070793 0.91 HPGDS (0.61) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2070310 0.89 HPGDS (0.60) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2070532 0.89 HPGDS (0.60) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2072821 0.88 HPGDS (0.59) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2072517 0.88 HPGDS (0.57) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2071952 0.88 HPGDS (0.58) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2070247 0.88 HPGDS (0.58) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2072669 0.86 HPGDS (0.62) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2073957 0.86 HPGDS (0.60) HPGDSEPHX2ADORA3USP30SMO
SCHEMBL2071058 0.85 HPGDS (0.60) HPGDSEPHX2ADORA3USP30SMO

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 2158/4885ADORA3 486/4885

“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.