SCHEMBL2071583

SCHEMBL2071583

CCCN1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.58
MLNR O43193 7/20 0.46
WNT3A P56704 3/20 0.45
GABRA5 P31644 2/20 0.43
MAP4K4 O95819 1/20 0.42
EPHX2 P34913 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
SCHEMBL2071587 1.00 HPGDS (0.58) HPGDSMLNRWNT3AGABRA5MAP4K4
SCHEMBL2071584 1.00 HPGDS (0.58) HPGDSMLNRWNT3AGABRA5MAP4K4
SCHEMBL2071243 0.87 HPGDS (0.76) HPGDSMLNRWNT3AGABRA5
SCHEMBL2071248 0.87 HPGDS (0.76) HPGDSMLNRWNT3AGABRA5
SCHEMBL12844651 0.87 HPGDS (0.76) HPGDSMLNRWNT3AGABRA5
SCHEMBL2071245 0.87 HPGDS (0.76) HPGDSMLNRWNT3AGABRA5
SCHEMBL2071480 0.85 HPGDS (0.76) HPGDSGABRA5EPHX2
SCHEMBL2071101 0.85 HPGDS (0.56) HPGDSMLNRWNT3AGABRA5MAP4K4
SCHEMBL2071103 0.85 HPGDS (0.56) HPGDSMLNRWNT3AGABRA5MAP4K4
SCHEMBL2071106 0.85 HPGDS (0.56) HPGDSMLNRWNT3AGABRA5MAP4K4

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 9 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-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-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
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
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 984/4885MLNR 2576/4885WNT3A 3094/4885

“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.