SCHEMBL1759405

SCHEMBL1759405

NC[C@H]1CN(Cc2ccccc2)CCO1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 18/20 0.71
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
DRD2 P14416 4/20 0.61
DRD3 P35462 4/20 0.61

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
SCHEMBL2768536 1.00 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10319583 1.00 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1502000 1.00 DRD4 (0.71) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL10670770 0.98 DRD4 (0.69) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8325714 0.91 DRD4 (0.60) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7368320 0.91 DRD4 (0.59) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7262675 0.88 DRD4 (0.76) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4228489 0.86 DRD4 (0.65) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8327024 0.86 DRD4 (0.65) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4029420 0.86 DRD4 (0.62) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3140298-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS Pfizer Inc. (US) 2017-03-15 EP disclosed
US-9328096-B2 Tropomyosin-related kinase inhibitors PFIZER INC. (US) 2016-05-03 US disclosed
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER (US) 2015-11-12 US disclosed
WO-2015170218-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS PFIZER INC. (US) 2015-11-12 WO disclosed
EP-1324990-B1 MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2014-10-29 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
WO-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058478-A1 SUBSTITUTED TRIAZOLOPYRIMIDINES AS PDE8 INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS BALLELL-PAGES LLUIS 2010-07-22 US disclosed
US-7732460-B2 Heterocyclic compounds, their preparation and their use as antibacterials GLAXO GROUP LIMITED (GB) 2010-06-08 US disclosed
US-20070185153-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-09 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
CN-1678594-A Morpholin-acetamide derivatives for the treatment of inflammatory diseases GLAXO GROUP LTD (GB) 2005-10-05 CN 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
US-6221864-B1 (S)-1-CYCLOPROPYL-1,4-DIHYDRO-7-(2-(N, N-DIMETHYLAMINOMETHYL)MORPHOLINO)-6-FLUORO-8-METHOXY-4-OXOQUIN OLINE-3-CARB OXYLIC ACID OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF; ANTISECRETORY DRUG. WELFIDE CORPORATION (JP) 2001-04-24 US disclosed
EP-0995746-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR DISEASES ATTRIBUTABLE TO INFECTION WITH HELICOBACTERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-04-26 EP 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 (6 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 DRD4 3922/4885CYP1A2 149/4885CYP3A4 1026/4885
US-20070185153-A1 COMPOUNDS NRDC, NISCH, MRPL21 DRD4 1321/4885CYP1A2 1281/4885CYP3A4 398/4885
US-20050222147-A1 Process for the preparation of morpholine derivatives and intermediates therefore NISCH, MYO3B, CYP11B2 DRD4 210/4885CYP1A2 7/4885CYP3A4 11/4885
US-20060079525-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases ARG1, ARG2, NFKBIA DRD4 2049/4885CYP1A2 67/4885CYP3A4 1012/4885
US-20100184751-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS SDHA, SDHB, NNT DRD4 2221/4885CYP1A2 217/4885CYP3A4 162/4885
US-20150322043-A1 TROPOMYOSIN-RELATED KINASE INHIBITORS TPM3, MUSK, TPM4 DRD4 4847/4885CYP1A2 3621/4885CYP3A4 3945/4885

“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.