SCHEMBL21735692

SCHEMBL21735692

COc1ccc2cc(-c3ccccc3)n(CCCC(C)C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
GRIK1 P39086 1/20 0.53
GRIK2 Q13002 1/20 0.53
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 3/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PDE5A O76074 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL26298680 0.88 MTNR1A (0.46) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL26292366 0.87 MTNR1A (0.47) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL21735538 0.85 MTNR1A (0.64) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL21735533 0.85 GRIK1 (0.58) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL23893555 0.84 MTNR1A (0.45) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL22628833 0.83 ALDH1A1 (0.57) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL23395731 0.82 MTNR1A (0.44) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL21735536 0.82 ALDH1A1 (0.45) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL21735535 0.80 GRIK2 (0.79) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1
SCHEMBL26291812 0.79 MTNR1A (0.45) MTNR1AMTNR1BGRIK1GRIK2ALDH1A1

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
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 US disclosed
EP-3889135-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AMO Ireland (IE) 2023-08-02 EP disclosed
EP-3889135-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3583092-B1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-26 EP disclosed
US-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583098-B9 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-05-12 EP disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
EP-3583098-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-10-28 EP disclosed
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-07-23 US disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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 (5 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885GRIK1 1873/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D MTNR1A 1345/4885MTNR1B 837/4885GRIK1 1140/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885GRIK1 1873/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 MTNR1A 2807/4885MTNR1B 1999/4885GRIK1 1093/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 MTNR1A 2807/4885MTNR1B 1999/4885GRIK1 1093/4885

“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.