SCHEMBL1932170

SCHEMBL1932170

CCC(C)=Nc1cccc(N=C(C)CC)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 19/20 0.58
NOS2 P35228 6/20 0.46
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
NOS3 P29474 5/20 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
SCHEMBL11766609 0.88 HTR3E (0.58) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL17254179 0.86 SIGMAR1 (0.54) NOS1NOS2
SCHEMBL1933033 0.86 NOS1 (0.51) NOS1NOS2NOS3
SCHEMBL17053450 0.84 NOS1 (0.56) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL15947208 0.84 NOS1 (0.56) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL17822043 0.84 NOS1 (0.56) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL15947209 0.83 NOS1 (0.47) NOS1NOS2NOS3
SCHEMBL10432239 0.82 NOS1 (0.53) NOS1NOS2
SCHEMBL714543 0.75 NOS1 (0.68) NOS1NOS2HTR3EHTR3BHTR3A
SCHEMBL13613942 0.71 SIGMAR1 (0.44) NOS1HTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212078-B2 Making chain extenders with slower cure rates; reacting a ketone and/or aldehyde with a primary amine in the presence of an acidic ion exchange resin and hydrogenation agent; making diimine same way but excluding hydrogenation agent; e.g. N,N'-di-5-nonyl-isophoronediamine ALBEMARLE CORPORATION (US) 2012-07-03 US disclosed
US-8080626-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-12-20 US disclosed
US-7964695-B2 Chain extenders ALBEMARLE CORPORATION (US) 2011-06-21 US disclosed
US-20110137005-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2011-06-09 US disclosed
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 US disclosed
EP-2143707-A2 Secondary diamine Albermarle Corporation (US) 2010-01-13 EP disclosed
EP-2078048-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS Albemarle Corporation (US) 2009-07-15 EP disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 US disclosed
WO-2008039571-A1 DIAMINE CHAIN EXTENDER COMPOSITIONS ALBEMARLE CORPORATION (US) 2008-04-03 WO disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 US disclosed
US-20080004406-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-01-03 US disclosed
EP-1868987-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2007-12-26 EP disclosed
US-20070270566-A1 Chain Extenders ALBEMARLE CORPORATION (US) 2007-11-22 US disclosed
US-7288677-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2007-10-30 US disclosed
WO-2006104528-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2006-10-05 WO disclosed
US-20060217567-A1 Diimines and secondary diamines ALBEMARLE CORPORATION 2006-09-28 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 (5 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-20080004406-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 NOS1 1070/4885NOS2 366/4885HTR3E 1105/4885
US-20070270566-A1 Chain Extenders DDC, PARG, ODC1 NOS1 2884/4885NOS2 1696/4885HTR3E 2597/4885
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 NOS1 1070/4885NOS2 366/4885HTR3E 1105/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 NOS1 1286/4885NOS2 586/4885HTR3E 1258/4885
US-20060217567-A1 Diimines and secondary diamines DDT, DDC, AOC1 NOS1 1070/4885NOS2 366/4885HTR3E 1105/4885

“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.