SCHEMBL954492

SCHEMBL954492

CNC(=O)C1CNCCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
F2 P00734 2/20 0.35
F9 P00740 2/20 0.35
F10 P00742 2/20 0.35
F12 P00748 2/20 0.35
PRSS1 P07477 2/20 0.35
PRSS2 P07478 2/20 0.35
F7 P08709 2/20 0.35
PRSS3 P35030 2/20 0.35
MMP3 P08254 2/20 0.33
MMP1 P03956 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
NRP1 O14786 1/20 0.31

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
SCHEMBL15432299 0.86 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL4082381 0.84 MMP1 (0.42) F2F9F10F12PRSS1
SCHEMBL20141818 0.83 F2 (0.33) F2F9F10F12PRSS1
SCHEMBL2922483 0.82 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL20259909 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL4383814 0.80 SLC6A1 (0.36) CHRNB2CHRNA4CHRNA3
SCHEMBL15542301 0.80 SLC6A1 (0.36) CHRNB2CHRNA4CHRNA3
SCHEMBL3272707 0.80 SLC6A1 (0.36) CHRNB2CHRNA4CHRNA3
SCHEMBL5073006 0.79 CHRNB2 (0.37) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2916330 0.79 CHRNB2 (0.39) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP claimed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 WO claimed
EP-3100723-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed
US-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use BIKAM PHARMACEUTICALS INC. (US) 2017-02-09 US disclosed
US-9562022-B2 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS, INC. (US) 2017-02-07 US disclosed
EP-3100723-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2016-12-07 EP disclosed
EP-2442644-B1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC (US) 2016-08-10 EP disclosed
EP-2442644-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE Bikam Pharmaceuticals, Inc. (US) 2012-04-25 EP disclosed
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use BIKAM PHARMACEUTICALS INC. 2011-01-06 US disclosed
WO-2010147653-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2010-12-23 WO disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 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-20170037018-A1 Opsin-Binding Ligands, Compositions and Methods of Use CRYAB, CRYAA, UACA CHRNB2 343/4885CHRNA4 1369/4885CHRNA7 1050/4885
US-20110003784-A1 Opsin-binding ligands, compositions and methods of use CRYAB, CRYAA, UACA CHRNB2 343/4885CHRNA4 1369/4885CHRNA7 1050/4885

“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.