SCHEMBL1042876

SCHEMBL1042876

C=C(C)COCCNC(=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 11)

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
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3863005 0.93 PDGFRB (0.32) DRD2DRD3ADRA1AHTR1A
SCHEMBL29453305 0.93 DRD2 (0.34) DRD2DRD3ADRA1AHTR1AHTR1D
SCHEMBL1042878 0.93 DRD2 (0.34) DRD2DRD3ADRA1AHTR1AHTR1D
SCHEMBL1078366 0.91 DRD2 (0.31) DRD2DRD3
SCHEMBL1045659 0.88 KCNA3 (0.31) ADRA1AHTR1A
SCHEMBL1043933 0.88 DRD2 (0.31) DRD2DRD3
SCHEMBL3873209 0.87
SCHEMBL29453301 0.86 PDGFRB (0.32) HTR1A
SCHEMBL1046720 0.86 PDGFRB (0.32) HTR1A
SCHEMBL11995963 0.85 PIK3CA (0.35) DRD2DRD3ADRA1ATSHRNPSR1

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-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
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