SCHEMBL4392829

SCHEMBL4392829

CCCCN1CCN(CCN)CC1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.65
GNAI3 P08754 4/20 0.54
GNAO1 P09471 4/20 0.54
GNAI1 P63096 4/20 0.54
SIGMAR1 Q99720 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
KEAP1 Q14145 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL6700154 0.93 GNAI3 (0.63) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL9292459 0.91 GNAI3 (0.67) ALOX15GNAI3GNAO1GNAI1
SCHEMBL4395108 0.90 KEAP1 (0.54) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL4389217 0.88 GNAI3 (0.57) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL1537447 0.87
SCHEMBL18538874 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL1043894 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL2318272 0.87 GNAI3 (0.58) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL4393745 0.85 GNAI3 (0.54) ALOX15GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL4396498 0.84 ALOX15 (0.72) ALOX15GNAI3GNAO1GNAI1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448654-B1 ACID GAS SCRUBBING COMPOSITION NALCO CO (US) 2019-05-01 EP disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 EP disclosed
EP-0802196-B1 Alkylenediamine derivatives as drugs for the treatment of ulcers and the inhibition of Helicobacter pylori SHISEIDO CO LTD (JP) 2001-08-29 EP disclosed
US-6096746-A Indazole compound containing a monocyclic amine structure NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-08-01 US disclosed
US-5945434-A TREATMENT OF GASTROINTESTINAL DISORDERS NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-08-31 US disclosed
US-5814634-A PEPTIC ULCERS, GASTRIC ULCERS SHISEIDO CO. LTD. (JP) 1998-09-29 US disclosed
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
EP-0802196-A1 Alkylenediamine derivative, antiulcer drug, and antibacterial drug SHISEIDO COMPANY LIMITED (JP) 1997-10-22 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 (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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 ALOX15 1719/4885GNAI3 881/4885GNAO1 191/4885

“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.