Sugi Predict

Sugi Predict / Compounds / SCHEMBL4937735

SCHEMBL4937735

SCHEMBL4937735

O=C(O)N1CCO[C@H](C(O)c2ccccn2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KCNA5 P22460 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KCNE1 P15382 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ SCD5 Q86SK9 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADORA2A P29274 1/20 0.33
▸ OPRM1 P35372 1/20 0.33

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
SCHEMBL4937728 1.00 TP53 (0.43) TP53KDM4ENPSR1ALDH1A1HPGD
SCHEMBL3329455 0.83 GPR119 (0.47) TP53ADORA2A
SCHEMBL3192718 0.83 GPR119 (0.47) TP53ADORA2A
SCHEMBL4934346 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4933481 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4934342 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4941691 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4940955 0.81 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4942959 0.80 ADORA2B (0.34) TP53KDM4ENPSR1ALDH1A1HPGD
SCHEMBL4942968 0.80 ADORA2B (0.34) TP53KDM4ENPSR1ALDH1A1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain FISH PAUL VINCENT 2008-07-03 — — US disclosed
CN-1950089-A Morpholine compounds PFIZER LTD (US) 2007-04-18 — — CN disclosed
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 — — EP disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 — — US disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 — — WO 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 (2 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-20050250775-A1 Novel compounds OPRL1, UGT1A1, NPSR1 TP53 4589/4885KDM4E 1905/4885NPSR1 3/4885
US-20080161309-A1 (2S)-2-[(1S)-(4-chloro-2-methoxyphenoxy)(pyridin-2-yl)methyl]morpholine; neuropathic pain, inflammatory pain, musculo-skeletal pain, central pain, heart and vascular pain, visceral pain, head pain or orofacial pain OPRL1, MYLK2, TNNT2 TP53 4442/4885KDM4E 391/4885NPSR1 93/4885

“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.