SCHEMBL3076201

SCHEMBL3076201

CC(C)(C)CCN[C@H]1CCCC[C@@H]1NCCC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.53
SIGMAR1 Q99720 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
DPP4 P27487 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL1639849 1.00 SSTR3 (0.53) SSTR3SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL21800086 0.86 SSTR3 (0.43) SSTR3SIGMAR1
SCHEMBL13912964 0.81 RAD52 (0.41) SSTR3SIGMAR1KDM4EALDH1A1DPP4
SCHEMBL12155818 0.80 SSTR3 (0.52) SSTR3SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL3645463 0.79 RAD52 (0.44) SSTR3SIGMAR1KDM4EALDH1A1
SCHEMBL12156771 0.76 RAD52 (0.37) SSTR3KDM4EALDH1A1DPP4S1PR1
SCHEMBL4487986 0.76 SSTR3 (0.46) SSTR3SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4501704 0.76 SSTR3 (0.46) SSTR3SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4501706 0.76 SSTR3 (0.46) SSTR3SIGMAR1KDM4EALDH1A1MAPT
SCHEMBL4487988 0.76 SSTR3 (0.46) SSTR3SIGMAR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7794917-B2 Curable composition, color filter and manufacturing method thereof FUJIFILM CORPORATION (JP) 2010-09-14 US disclosed
US-7517895-B2 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-04-14 US disclosed
US-20080076043-A1 CURABLE COMPOSITION, COLOR FILTER AND MANUFACTURING METHOD THEREOF FUJIFILM CORPORATION (JP) 2008-03-27 US disclosed
US-20060089397-A1 Synthetic diazonamides BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-04-27 US disclosed
US-7022720-B2 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-04-04 US disclosed
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-05-29 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 (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-20060089397-A1 Synthetic diazonamides BUB1B, BUB1, CDK15 SSTR3 733/4885SIGMAR1 4130/4885KDM4E 1149/4885
US-20030100589-A1 Synthetic diazonamides as novel anti-mitotic agents BUB1B, BUB1, BUB3 SSTR3 860/4885SIGMAR1 3679/4885KDM4E 1469/4885

“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.