SCHEMBL6950591

SCHEMBL6950591

CCCCN1CCC(C(=O)OCC)CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KCNH2 Q12809 3/20 0.55
HRH3 Q9Y5N1 1/20 0.54
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LTA4H P09960 1/20 0.50

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
SCHEMBL6973109 0.94 KCNH2 (0.55) MAPTKCNH2HRH3LMNAALDH1A1
SCHEMBL22301206 0.94 KCNH2 (0.55) MAPTKCNH2HRH3LMNAALDH1A1
SCHEMBL4172495 0.90 MAPT (0.58) MAPTKCNH2LMNAALDH1A1KDM4E
SCHEMBL15569388 0.90 MAPT (0.62) MAPTKCNH2LMNAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL5071255 0.88 MAPT (0.57) MAPTKCNH2LMNAALDH1A1KDM4E
SCHEMBL11454925 0.87 LMNA (0.54) MAPTKCNH2HRH3LMNAALDH1A1
SCHEMBL8316368 0.87 HRH3 (0.58) MAPTKCNH2HRH3LMNAALDH1A1
SCHEMBL15844211 0.86 KCNH2 (0.58) MAPTKCNH2HRH3LMNAALDH1A1
SCHEMBL27883912 0.86 KCNH2 (0.54) MAPTKCNH2HRH3LMNAALDH1A1
Hydrochloric Acid SCHEMBL6751953 0.86 KCNH2 (0.55) MAPTKCNH2HRH3LMNAALDH1A1

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
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-7642245-B2 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2010-01-05 US disclosed
US-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif OSCIENT PHARMACEUTICALS CORPORATION (US) 2007-06-21 US disclosed
EP-0829474-B1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN SEIFUN GROUP INC (JP) 2003-04-09 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
EP-0829474-A1 INDAZOLE DERIVATIVES HAVING MONOCYCLIC AMINO GROUP NISSHIN FLOUR MILLING CO., LTD. (JP) 1998-03-18 EP disclosed
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 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 (2 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-20070142268-A1 Antibacterial compounds having a (pyrrole carboxamide)-(benzamide)-(imidazole carboxamide) motif AADAC, MRPL21, HDAC6 MAPT 2626/4885KCNH2 2131/4885HRH3 1811/4885
US-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS MAPT 4674/4885KCNH2 2989/4885HRH3 4516/4885

“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.