SCHEMBL4031016

SCHEMBL4031016

NCC1CN(CCCc2ccc(Cl)c(Cl)c2)CCO1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 17/20 0.51
▸ DRD4 P21917 2/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ CCR3 P51677 1/20 0.43

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
SCHEMBL1809499 0.84 DRD4 (0.65) SIGMAR1DRD4CYP1A2CYP2D6CCR3
SCHEMBL4031677 0.84 DRD4 (0.65) SIGMAR1DRD4CYP1A2CYP2D6CCR3
SCHEMBL4026839 0.84 DRD4 (0.65) SIGMAR1DRD4CYP1A2CYP2D6CCR3
Hydrochloric Acid SCHEMBL1809455 0.83 DRD4 (0.63) SIGMAR1DRD4CYP1A2CYP2D6CCR3
Oxalic Acid SCHEMBL17891318 0.78 DRD4 (0.60) SIGMAR1DRD4CYP1A2CYP2D6CCR3
SCHEMBL4224022 0.77 DRD4 (0.56) DRD4CYP1A2CYP2D6CCR3
SCHEMBL5619541 0.77 POLB (0.56) SIGMAR1DRD4CCR3
SCHEMBL4023483 0.76 SIGMAR1 (0.51) SIGMAR1DRD4CYP1A2CYP2D6CCR3
SCHEMBL4228489 0.74 DRD4 (0.65) DRD4CYP1A2CYP2D6
SCHEMBL8327024 0.74 DRD4 (0.65) DRD4CYP1A2CYP2D6

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
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 — — EP disclosed
US-7560548-B2 Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2009-07-14 — — US 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-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ANCLIFF RACHAEL A 2006-04-13 — — 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 (4 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 SIGMAR1 99/4885DRD4 3922/4885CYP1A2 149/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 SIGMAR1 499/4885DRD4 210/4885CYP1A2 7/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA SIGMAR1 939/4885DRD4 2049/4885CYP1A2 67/4885
US-20090163495-A1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ARG1, ARG2, NFKBIA SIGMAR1 939/4885DRD4 2049/4885CYP1A2 67/4885

“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.

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