SCHEMBL525070

SCHEMBL525070

C=C(C(=O)O)C(CCCC)N1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
MAPK1 P28482 2/20 0.37
CA2 P00918 2/20 0.37
SLC6A3 Q01959 6/20 0.36
SLC6A2 P23975 5/20 0.36
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA1 P00915 1/20 0.33
DPP4 P27487 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC6A4 P31645 3/20 0.33
USP2 O75604 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33

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
SCHEMBL11530558 0.95 GPR84 (0.39) SIGMAR1MAPK1SLC6A3SLC6A2DRD3
SCHEMBL4625385 0.81 SIGMAR1 (0.36) SIGMAR1CA2SLC6A3SLC6A2DRD3
SCHEMBL22500187 0.73 SIGMAR1 (0.48) SIGMAR1MAPK1CA2SLC6A3SLC6A2
SCHEMBL3261112 0.72 CA2 (0.56) MAPK1CA2SLC6A3DRD3MAPT
SCHEMBL10336334 0.72 ALDH1A1 (0.38) MAPTGPR84
SCHEMBL24465088 0.71 S1PR1 (0.37) SIGMAR1SLC6A3SLC6A2DRD3USP2
SCHEMBL19403269 0.71 S1PR1 (0.42) SIGMAR1MAPK1CA2SLC6A3SLC6A2
SCHEMBL19605846 0.71 S1PR1 (0.42) SIGMAR1MAPK1CA2SLC6A3SLC6A2
SCHEMBL577633 0.71 CA2 (0.48) MAPK1CA2SLC6A3DRD3MAPT
SCHEMBL1672001 0.71 CA1 (0.47) MAPK1CA2MAPTCA1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088844-A1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS ALCON INC. (CH) 2012-04-12 US claimed
US-9422447-B2 Azetidinium-containing copolymers and uses thereof NOVARTIS AG (CH) 2016-08-23 US disclosed
US-9261626-B2 Contact lenses with enzymatically degradable coatings thereon NOVARTIS AG (CH) 2016-02-16 US disclosed
US-9244195-B2 Silicone hydrogel lenses with nano-textured surfaces NOVARTIS AG (CH) 2016-01-26 US disclosed
US-9097840-B2 Amphiphilic siloxane-containing (meth)acrylamides and uses thereof NOVARTIS AG (CH) 2015-08-04 US disclosed
US-9052440-B2 Chain-extended polysiloxane crosslinkers with dangling hydrophilic polymer chains NOVARTIS AG (CH) 2015-06-09 US disclosed
US-20140350124-A1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS ALCON INC. (CH) 2014-11-27 US disclosed
US-8835525-B2 Chain-extended polysiloxane crosslinkers with dangling hydrophilic polymer chains NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20140171539-A1 AMPHIPHILIC SILOXANE-CONTAINING (METH)ACRYLAMIDES AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20140171542-A1 AMPHIPHILIC SILOXANE-CONTAINING VINYLIC MONOMERS AND USES THEREOF NOVARTIS AG (CH) 2014-06-19 US disclosed
US-20130337160-A1 AZETIDINIUM-CONTAINING COPOLYMERS AND USES THEREOF ALCON INC. (CH) 2013-12-19 US disclosed
US-8557940-B2 Amphiphilic polysiloxane prepolymers and uses thereof NOVARTIS AG (CH) 2013-10-15 US disclosed
US-20130148077-A1 CONTACT LENSES WITH ENZYMATICALLY DEGRADABLE COATINGS THEREON NOVARTIS AG (CH) 2013-06-13 US disclosed
US-20120314185-A1 SILICONE HYDROGEL LENSES WITH NANO-TEXTURED SURFACES ALCON INC. (CH) 2012-12-13 US disclosed
US-20120088843-A1 POLYMERIZABLE CHAIN-EXTENDED POLYSILOXANES WITH PENDANT HYDROPHILIC GROUPS ALCON INC. (CH) 2012-04-12 US disclosed
US-20120088844-A1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS ALCON INC. (CH) 2012-04-12 US disclosed
US-20120029111-A1 AMPHIPHILIC POLYSILOXANE PREPOLYMERS AND USES THEREOF ALCON INC. (CH) 2012-02-02 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 (4 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-20120088843-A1 POLYMERIZABLE CHAIN-EXTENDED POLYSILOXANES WITH PENDANT HYDROPHILIC GROUPS GFER, DRD1, SORD SIGMAR1 155/4885MAPK1 4036/4885CA2 2730/4885
US-20120029111-A1 AMPHIPHILIC POLYSILOXANE PREPOLYMERS AND USES THEREOF PIGS, ELOVL1, HACD2 SIGMAR1 1744/4885MAPK1 4175/4885CA2 3970/4885
US-20120088844-A1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS HACD2, HACD3, PCNA SIGMAR1 1188/4885MAPK1 3316/4885CA2 1019/4885
US-20140350124-A1 CHAIN-EXTENDED POLYSILOXANE CROSSLINKERS WITH DANGLING HYDROPHILIC POLYMER CHAINS HACD2, HACD3, PCNA SIGMAR1 1188/4885MAPK1 3316/4885CA2 1019/4885

“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.