SCHEMBL4521587

SCHEMBL4521587

O=C(OCc1ccccc1)N1CCCC1c1nnn[nH]1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.49
SIGMAR1 Q99720 4/20 0.49
PREP P48147 3/20 0.47
AADAT Q8N5Z0 1/20 0.47
ACE2 Q9BYF1 2/20 0.46
CTRB1 P17538 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL13246605 1.00 TMEM97 (0.49) TMEM97SIGMAR1PREPAADATACE2
SCHEMBL672317 1.00 TMEM97 (0.49) TMEM97SIGMAR1PREPAADATACE2
SCHEMBL13246610 0.87 TMEM97 (0.37) TMEM97SIGMAR1PREP
SCHEMBL4513756 0.81 JAK2 (0.54) NPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL586528 0.81 TMEM97 (0.46) TMEM97SIGMAR1NPSR1NPC1RAB9A
SCHEMBL14407820 0.81 EPHX2 (0.40) AADAT
SCHEMBL2991741 0.80 ACE (0.54) TMEM97SIGMAR1PREPAADAT
SCHEMBL2995733 0.80 ACE (0.54) TMEM97SIGMAR1PREPAADAT
SCHEMBL13374857 0.80 TMEM97 (0.49) TMEM97SIGMAR1PREPAADATACE2
SCHEMBL2991740 0.80 ACE (0.54) TMEM97SIGMAR1PREPAADAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-9918964-B2 Reducing platelet activation, aggregation and platelet-stimulated thrombosis or blood coagulation by reducing mitochondrial respiration THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-20 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration STANFORD UNIVERSITY (US) 2011-12-08 US disclosed
US-20090318445-A1 PDF INHIBITORS NORVARTIS AG (CH) 2009-12-24 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-20110301180-A1 Reducing Platelet Activation, Aggregation and Platelet-Stimulated Thrombosis or Blood Coagulation by Reducing Mitochondrial Respiration PC, PFKP, UQCRC1 TMEM97 2481/4885SIGMAR1 2791/4885PREP 2630/4885
US-20090318445-A1 PDF INHIBITORS PDF, TIMP3, MMP2 TMEM97 1314/4885SIGMAR1 1239/4885PREP 10/4885

“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.