SCHEMBL4941691

SCHEMBL4941691

O=C(O)N1CCO[C@@H](C(O)c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SLC6A3 Q01959 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL4933481 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A3KMT2AMEN1HPGD
SCHEMBL4934346 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A3KMT2AMEN1HPGD
SCHEMBL4934342 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A3KMT2AMEN1HPGD
SCHEMBL4940955 1.00 ALDH1A1 (0.40) ALDH1A1SLC6A3KMT2AMEN1HPGD
SCHEMBL27688859 0.86 DPP4 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4941547 0.86 DPP4 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4941741 0.86 DPP4 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4941737 0.86 DPP4 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL4941555 0.86 DPP4 (0.39) ALDH1A1KDM4ECYP2C9CYP2C19
SCHEMBL22557270 0.83 L3MBTL1 (0.44) ALDH1A1

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-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
EP-1744754-A1 MORPHOLINE COMPOUNDS Pfizer Limited (GB) 2007-01-24 EP disclosed
WO-2005105100-A1 MORPHOLINE COMPOUNDS PFIZER LIMITED (GB) 2005-11-10 WO disclosed
US-20050250775-A1 Novel compounds FISH PAUL V 2005-11-10 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 (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 ALDH1A1 275/4885SLC6A3 104/4885KMT2A 3249/4885
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 ALDH1A1 758/4885SLC6A3 729/4885KMT2A 828/4885

“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.