SCHEMBL6922736

SCHEMBL6922736

C=CCC1CCCC/C1=N\O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.42
NOS2 P35228 4/20 0.42
NOS3 P29474 2/20 0.39
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.32

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
SCHEMBL8958622 1.00 NOS1 (0.42) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL13560831 0.75 CTDSP1 (0.42) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL4039458 0.75 NOS3 (0.37) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL9860940 0.75 NOS3 (0.37) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL14246443 0.75 NOS1 (0.46) NOS1NOS2NOS3ALDH1A1
SCHEMBL4039461 0.75 NOS3 (0.37) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL27427946 0.75 KDM4E (0.37) NOS1NOS2NOS3KDM4EALDH1A1
SCHEMBL17816554 0.73 NOS1 (0.36) NOS1NOS2NOS3
SCHEMBL1133545 0.72 NOS1 (0.52) NOS1NOS2NOS3
SCHEMBL13576632 0.72 NOS1 (0.47) NOS1NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8059568-A None JP disclosed
JP-8059567-A None JP disclosed
EP-3829559-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION Merck Sharp & Dohme Corp. (US) 2021-06-09 EP disclosed
WO-2020028150-A1 INHIBITORS OF HISTONE DEACETYLASE USEFUL FOR THE TREATMENT OR PREVENTION OF HIV INFECTION MERCK SHARP & DOHME CORP. (US) 2020-02-06 WO disclosed
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-02-21 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed
JP-H0859567-A PRODUCTION OF TRANS-4-ALKYLCYCLOHEXYLAMINE NIPPON KASEI CHEM CO LTD 1996-03-05 JP disclosed
JP-H0859568-A PRODUCTION OF TRANS-4-ALKYLCYCLOHEXYLAMINE NIPPON KASEI CHEM CO LTD 1996-03-05 JP disclosed
EP-0121701-A1 Process for the production of o-substituted oximes ALLIED CORPORATION (US) 1984-10-17 EP disclosed
US-4395413-A NICOTINE ANTIALLERGEN, ANESTHETIC, ANALGESIC, HYPOTENSIVE, AND ANTIULCER AGENT EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-07-26 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 (3 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 NOS1 3271/4885NOS2 3346/4885NOS3 3204/4885
US-20190055204-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NOS1 3271/4885NOS2 3346/4885NOS3 3204/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 NOS1 3271/4885NOS2 3346/4885NOS3 3204/4885

“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.