SCHEMBL1042878

SCHEMBL1042878

C=C(C)C(=O)OCCNC(=O)N1CCN(c2cc3c4c(c5c(c3cc2OC)OC(c2ccccc2)(c2ccc(N3CCOCC3)cc2)C=C5)C(C)(C)c2ccccc2-4)CC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
ADRA1A P35348 1/20 0.34
HTR1A P08908 2/20 0.31
HTR1D P28221 2/20 0.31
HTR1B P28222 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR6 P50406 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL29453305 1.00 DRD2 (0.34) DRD2DRD3ADRA1AHTR1AHTR1D
SCHEMBL29453301 0.93 PDGFRB (0.32) HTR1A
SCHEMBL1046720 0.93 PDGFRB (0.32) HTR1A
SCHEMBL1042876 0.93 DRD2 (0.34) DRD2DRD3ADRA1AHTR1AHTR1D
SCHEMBL1078368 0.91 DRD2 (0.31) DRD2DRD3
SCHEMBL29453345 0.91 DRD2 (0.31) DRD2DRD3
SCHEMBL9882509 0.90 HTR1A (0.32) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL24605271 0.89 NPC1 (0.31) DRD2HTR1AHTR6KDM4EALDH1A1
SCHEMBL29453336 0.89 KCNA3 (0.31) ADRA1AHTR1A
SCHEMBL1045660 0.89 KCNA3 (0.31) ADRA1AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1872159-B1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON AND JOHNSON VISION CARE INC (US) 2019-09-04 EP claimed
US-9052438-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-06-09 US claimed
EP-1866699-B1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-05-05 EP claimed
US-20060226401-A1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US claimed
US-11874434-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2024-01-16 US disclosed
US-20220137262-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2022-05-05 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
EP-3633423-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS Johnson & Johnson Vision Care, Inc. (US) 2020-04-08 EP disclosed
EP-1872159-B1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON AND JOHNSON VISION CARE INC (US) 2019-09-04 EP disclosed
US-10197707-B2 Ophthalmic devices comprising photochromic materials with reactive sub substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2019-02-05 US disclosed
US-20150241601-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE (US) 2015-08-27 US disclosed
US-9052438-B2 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. (US) 2015-06-09 US disclosed
EP-2270559-B1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE (US) 2013-08-21 EP disclosed
EP-2270559-A2 Ophthalmic devices comprising photochromic materials with reactive substituents Johnson and Johnson Vision Care, Inc. (US) 2011-01-05 EP disclosed
EP-1866699-B1 PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS TRANSITIONS OPTICAL INC (US) 2010-05-05 EP disclosed
US-7556750-B2 Photochromic materials with reactive substituents TRANSITIONS OPTICAL, INC. (US) 2009-07-07 US disclosed
EP-1872159-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS Johnson and Johnson Vision Care, Inc. (US) 2008-01-02 EP disclosed
WO-2006110520-A1 OPHTHALMIC DEVICES COMPRISING PHOTOCHROMIC MATERIALS WITH REACTIVE SUBSTITUENTS JOHNSON & JOHNSON VISION CARE, INC. (US) 2006-10-19 WO disclosed
US-20060226401-A1 Ophthalmic devices comprising photochromic materials with reactive substituents JOHNSON & JOHNSON VISION CARE, INC. 2006-10-12 US disclosed
US-20060226400-A1 Photochromic materials with reactive substituents TRANSITIONS OPTICAL LIMITED (IE) 2006-10-12 US disclosed