SCHEMBL70761

SCHEMBL70761

O=C(OCc1ccccc1)N1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP2C19 P33261 1/20 0.58
HTR2C P28335 1/20 0.52
GRIN2B Q13224 3/20 0.49
HTT P42858 1/20 0.49
P2RX4 Q99571 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
F13A1 P00488 1/20 0.48
TGM2 P21980 1/20 0.48
TGM1 P22735 1/20 0.48
CYP3A4 P08684 1/20 0.48
P2RX1 P51575 1/20 0.48

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
SCHEMBL2621378 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL70762 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2621382 1.00 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2621342 0.94 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2621369 0.94 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL2999166 0.94 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5747781 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5747776 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL5747789 0.91 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL603957 0.90 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202760-B1 PEGYLATED LIPIDS AND THEIR USE FOR DRUG DELIVERY ALNYLAM PHARMACEUTICALS INC (US) 2019-08-21 EP disclosed
US-9999673-B2 PEGylated lipids and their use for drug delivery ALNYLAM PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
US-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-05-10 US disclosed
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-03-08 US disclosed
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS ARBUTUS BIOPHARMA CORPORATION (CA) 2018-03-08 US disclosed
US-20180037893-A1 NOVEL LOW MOLECULAR WEIGHT CYCLIC AMINE CONTAINING CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY SIRNA THERAPEUTICS, INC. (US) 2018-02-08 US disclosed
US-9796977-B2 Low molecular weight cyclic amine containing cationic lipids for oligonucleotide delivery SIRNA THERAPEUTICS, INC. (US) 2017-10-24 US disclosed
US-9796977-B2 Low molecular weight cyclic amine containing cationic lipids for oligonucleotide delivery SIRNA THERAPEUTICS, INC. (US) 2017-10-24 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-9771345-B2 Coferons and methods of making and using them CORNELL UNIVERSITY (US) 2017-09-26 US disclosed
US-5658928-A ANTICOAGULANTS, ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENTS,WOUND HEALING AGENTS, OSTEOPOROSIS HOFFMANN-LA ROCHE INC. (US) 1997-08-19 US disclosed
US-5571909-A ANTIBIOTICS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 1996-11-05 US disclosed
US-5545658-A FOR TREATMENT OR PROPHYLAXIS OF ILLNESSES WHICH ARE CAUSED BY THE BINDING OF ADHESIVE PROTEINS TO BLOOD PLATELETS AND BY BLOOD PLATELET AGGREGATION AND CELL-CELL ADHESION HOFFMAN-LA ROCHE INC. (US) 1996-08-13 US disclosed
EP-0505868-B1 N-Acyl-alpha-aminoacids derivatives HOFFMANN LA ROCHE (CH) 1995-09-13 EP disclosed
US-5378712-A Antithrombosis Hoffmann-La Roche Inc (US) 1995-01-03 US disclosed
EP-0505868-A2 N-Acyl-alpha-aminoacids derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-09-30 EP disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 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 (3 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-20180125985-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1515/4885NPC1 10/4885RAB9A 1625/4885
US-20180064807-A1 NOVEL LIPIDS AND COMPOSITIONS FOR THE DELIVERY OF THERAPEUTICS CETP, LCAT, NPC1L1 SMN1; SMN2 1568/4885NPC1 13/4885RAB9A 1706/4885
US-20180037893-A1 NOVEL LOW MOLECULAR WEIGHT CYCLIC AMINE CONTAINING CATIONIC LIPIDS FOR OLIGONUCLEOTIDE DELIVERY LDLR, APOB, CETP SMN1; SMN2 4302/4885NPC1 16/4885RAB9A 3692/4885

“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.