SCHEMBL3856957

SCHEMBL3856957

CCN=C=NC(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL18244960 0.82 TRPA1 (0.35)
SCHEMBL287060 0.76
Hydrochloric Acid SCHEMBL7284036 0.74 CYP1A2 (0.50) CYP1A2CYP2D6
SCHEMBL28647463 0.74 CYP1A2 (0.31) CYP1A2CYP2D6
SCHEMBL7484113 0.74
SCHEMBL1443231 0.74
Hydrochloric Acid SCHEMBL4275672 0.72
Hydrochloric Acid SCHEMBL8103830 0.72 CYP1A2 (0.30) CYP1A2CYP2D6
SCHEMBL134494 0.71
SCHEMBL2568072 0.70 CYP1A2 (0.38) CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888082-B1 MOTILIDE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2012-09-12 EP disclosed
US-7582611-B2 Treating disorders of gastric motility; decreasing side effects of erythromycin A PFIZER INC. (US) 2009-09-01 US disclosed
EP-1888082-A4 MOTILIDE COMPOUNDS PFIZER (US) 2008-12-17 EP disclosed
EP-1888082-A1 MOTILIDE COMPOUNDS Pfizer, Inc. (US) 2008-02-20 EP disclosed
CN-1303994-C Taxol vesicle injection and its prepn ZHEJIANG HAIZHENG PHARMACEUTIC (CN) 2007-03-14 CN disclosed
WO-2006127252-A1 MOTILIDE COMPOUNDS PFIZER, INC. (US) 2006-11-30 WO disclosed
US-20060270616-A1 Motilide compounds PFIZER INC. 2006-11-30 US disclosed
CN-1526387-A Taxol vesicle injection and its prepn 浙江海正药业股份有限公司 2004-09-08 CN 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 (1 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-20060270616-A1 Motilide compounds MLNR, PROKR1, GIPR CYP1A2 1502/4885CYP2D6 486/4885

“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.