SCHEMBL2017128

SCHEMBL2017128

NCCC1CCCC(CCN)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2015380 0.88 SIGMAR1 (0.33) SIGMAR1
SCHEMBL2014665 0.77 CYP2C9 (0.32)
Hydrochloric Acid SCHEMBL10749226 0.74 CYP2C9 (0.30)
SCHEMBL80949 0.74
SCHEMBL85855 0.74
SCHEMBL1489684 0.74
SCHEMBL83315 0.74
SCHEMBL239626 0.74
SCHEMBL81766 0.74
SCHEMBL4370975 0.74 S1PR2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738647-B2 Methods for the synthesis of polycyclic guanidine compounds SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-08-22 US claimed
US-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2014-07-10 US claimed
EP-2515648-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS Novomer, Inc. (US) 2012-10-31 EP claimed
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2012-10-11 US claimed
WO-2011079041-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2011-06-30 WO claimed
US-9738647-B2 Methods for the synthesis of polycyclic guanidine compounds SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2017-08-22 US disclosed
EP-2515648-B1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER INC (US) 2017-08-16 EP disclosed
US-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2014-07-10 US disclosed
US-8642771-B2 Methods for the synthesis of polycyclic guanidine compounds NOVOMER, INC. (US) 2014-02-04 US disclosed
EP-2515648-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS Novomer, Inc. (US) 2012-10-31 EP disclosed
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2012-10-11 US disclosed
WO-2011079041-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS NOVOMER, INC. (US) 2011-06-30 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-20140194622-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA SIGMAR1 2881/4885
US-20120259112-A1 METHODS FOR THE SYNTHESIS OF POLYCYCLIC GUANIDINE COMPOUNDS GNMT, GMPS, GDA SIGMAR1 2881/4885

“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.