Sugi Predict

Sugi Predict / Compounds / SCHEMBL2071101

SCHEMBL2071101

SCHEMBL2071101

CC(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.56
▸ MAP4K4 O95819 3/20 0.48
▸ WNT3A P56704 4/20 0.45
▸ MLNR O43193 5/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.42
▸ BAZ2B Q9UIF8 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
SCHEMBL2071103 1.00 HPGDS (0.56) HPGDSMAP4K4WNT3AMLNRGABRA5
SCHEMBL2071106 1.00 HPGDS (0.56) HPGDSMAP4K4WNT3AMLNRGABRA5
SCHEMBL12776688 0.86 HPGDS (0.54) HPGDSWNT3AGABRA5USP30
SCHEMBL2071587 0.85 HPGDS (0.58) HPGDSMAP4K4WNT3AMLNRGABRA5
SCHEMBL2071584 0.85 HPGDS (0.58) HPGDSMAP4K4WNT3AMLNRGABRA5
SCHEMBL2071583 0.85 HPGDS (0.58) HPGDSMAP4K4WNT3AMLNRGABRA5
SCHEMBL16495522 0.84 HPGDS (0.55) HPGDSWNT3AMLNRUSP30
SCHEMBL16495521 0.84 HPGDS (0.55) HPGDSWNT3AMLNRUSP30
SCHEMBL13573020 0.84 HPGDS (0.55) HPGDSWNT3AMLNRUSP30
SCHEMBL2070749 0.84 HPGDS (0.53) HPGDSWNT3AMLNRGABRA5USP30

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 8 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
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 984/4885MAP4K4 1602/4885WNT3A 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.