SCHEMBL21735537

SCHEMBL21735537

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.51
GRIK2 Q13002 1/20 0.51
CASR P41180 1/20 0.49
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 5/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MEN1 O00255 4/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL22003809 0.88 GRIK1 (0.62) GRIK1GRIK2CASRKDM4EALDH1A1
SCHEMBL26292357 0.83 MTNR1A (0.40) GRIK1GRIK2CASRMTNR1AMTNR1B
SCHEMBL11687963 0.80 KMT2A (0.62) GRIK1GRIK2MTNR1AMTNR1BKDM4E
SCHEMBL11703292 0.79 KMT2A (0.59) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL21735533 0.79 GRIK1 (0.58) GRIK1GRIK2MTNR1AMTNR1BKDM4E
SCHEMBL21735672 0.79 KMT2A (0.44) CASRKDM4EALDH1A1HPGDCYP1A2
SCHEMBL23893569 0.79 GRIK1 (0.40) GRIK1GRIK2CASRMTNR1AMTNR1B
SCHEMBL10095643 0.79 PTGS2 (0.46) MTNR1AMTNR1BGAALMNAMAPT
SCHEMBL21907069 0.78 CYP1A2 (0.44) CASRMTNR1AMTNR1BKDM4ESMN1; SMN2
SCHEMBL23395680 0.78 MTNR1A (0.36) GRIK1GRIK2CASRMTNR1AMTNR1B

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-11014900-B2 Hydrophilic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
US-11014901-B2 Hydrophobic 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 GRIK1 1873/4885GRIK2 2281/4885CASR 2316/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D GRIK1 1140/4885GRIK2 1655/4885CASR 994/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 GRIK1 1873/4885GRIK2 2281/4885CASR 2316/4885
US-20200231559-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES AQP1, AQP3, AQP4 GRIK1 1093/4885GRIK2 1460/4885CASR 1207/4885
US-11014900-B2 Hydrophilic compounds for optically active devices AQP1, AQP3, AQP4 GRIK1 1093/4885GRIK2 1460/4885CASR 1207/4885

“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.