SCHEMBL2073036

SCHEMBL2073036

CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)C1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.52
HPGDS O60760 3/20 0.51
DGAT2 Q96PD7 1/20 0.50
GPR119 Q8TDV5 1/20 0.44
GABRA5 P31644 1/20 0.43
BACE1 P56817 1/20 0.42
BACE2 Q9Y5Z0 1/20 0.42
WNT3A P56704 4/20 0.42
ADAM17 P78536 2/20 0.41
MLNR O43193 1/20 0.40

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
SCHEMBL2072062 1.00 USP30 (0.52) USP30HPGDSDGAT2GPR119GABRA5
SCHEMBL2072065 1.00 USP30 (0.52) USP30HPGDSDGAT2GPR119GABRA5
SCHEMBL12776517 1.00 USP30 (0.52) USP30HPGDSDGAT2GPR119GABRA5
SCHEMBL12142190 0.90 USP30 (0.52) USP30HPGDSDGAT2GABRA5BACE1
SCHEMBL1365941 0.90 USP30 (0.52) USP30HPGDSDGAT2GABRA5BACE1
SCHEMBL1365943 0.90 USP30 (0.52) USP30HPGDSDGAT2GABRA5BACE1
SCHEMBL12776503 0.89 HPGDS (0.59) USP30HPGDSGPR119GABRA5WNT3A
SCHEMBL12776688 0.88 HPGDS (0.54) USP30HPGDSGPR119GABRA5WNT3A
SCHEMBL2070081 0.88 HPGDS (0.54) HPGDSWNT3AMLNR
SCHEMBL12844647 0.88 HPGDS (0.54) HPGDSWNT3AMLNR

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 4 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
EP-2129660-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-09 EP disclosed
WO-2008075172-A2 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-06-26 WO 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 USP30 4416/4885HPGDS 984/4885DGAT2 1605/4885

“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.