SCHEMBL4144033

SCHEMBL4144033

CN(C(=O)O)[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
HPGD P15428 2/20 0.49
PDE2A O00408 3/20 0.48
TSHR P16473 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.42
PHGDH O43175 1/20 0.41

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
SCHEMBL4496189 0.77 DRD4 (0.51) SIGMAR1KMT2APOLB
SCHEMBL15937501 0.77 HPGD (0.58) PKMHPGDTSHRSIGMAR1CYP1A2
SCHEMBL4021469 0.76 PKM (0.49) PKMHPGDPDE2ATSHRKMT2A
SCHEMBL4144028 0.76 PKM (0.54) PKMHPGDPDE2ATSHRHSD11B1
SCHEMBL4474932 0.75 SLC6A3 (0.43)
Hydrochloric Acid SCHEMBL4027477 0.74 PKM (0.58) PKMHPGDPDE2ATSHRKMT2A
SCHEMBL4021466 0.72 PKM (0.49) PKMHPGDPDE2ATSHRKMT2A
SCHEMBL14275541 0.68 HPGD (0.60) PKMHPGDTSHRHSD11B1
SCHEMBL7310175 0.68 HPGD (0.64) PKMHPGDTSHRKMT2AHSD11B1
SCHEMBL3454797 0.67 HPGD (0.59) PKMHPGDTSHRKMT2AHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP disclosed
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2009-06-25 US disclosed
US-7101882-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2006-09-05 US disclosed
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore GLAXO GROUP LIMITED (GB) 2005-10-06 US disclosed
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US disclosed
EP-1324990-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-07-09 EP disclosed
WO-2002026722-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2002-04-04 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 (3 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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL PKM 3253/4885HPGD 2765/4885PDE2A 2634/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 PKM 838/4885HPGD 1236/4885PDE2A 480/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA PKM 3563/4885HPGD 2274/4885PDE2A 640/4885

“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.