SCHEMBL18769201

SCHEMBL18769201

NCC1CCC(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.41
KDM1A O60341 1/20 0.41
CXCR4 P61073 1/20 0.37
PLG P00747 1/20 0.35
PLAT P00750 1/20 0.35
LMNA P02545 1/20 0.35
HTR2C P28335 9/20 0.33
HTR2B P41595 8/20 0.33
HTR2A P28223 6/20 0.33
F2 P00734 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PRKCQ Q04759 1/20 0.33

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
SCHEMBL5519016 0.90 GBA1 (0.34)
Bromide SCHEMBL28426746 0.88 GBA1 (0.33)
SCHEMBL10037070 0.82 EPHX2 (0.37) MAOBKDM1A
SCHEMBL15593375 0.81 ACHE (0.38)
SCHEMBL14416818 0.81 GAA (0.34) LMNA
SCHEMBL13331319 0.81 GBA1 (0.30)
SCHEMBL24310936 0.80 EPHX2 (0.40) MAOBKDM1A
SCHEMBL22893113 0.80 EPHX2 (0.40) MAOBKDM1A
SCHEMBL22906294 0.80 EPHX2 (0.40) MAOBKDM1A
SCHEMBL22893117 0.80 EPHX2 (0.40) MAOBKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352382-B2 Mito-lonidamine, compositions and methods of use THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2022-06-07 US disclosed
US-11274114-B2 Modified mito-metformin compounds and methods of synthesis and use thereof THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2022-03-15 US disclosed
US-20210061830-A1 MITO-LONIDAMINE, COMPOSITIONS AND METHODS OF USE AIX-MARSEILLE UNIVERSITE (FR) 2021-03-04 US disclosed
US-10576093-B2 Neuroprotection by mitochondria-targeted metformin IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-03-03 US disclosed
US-20190091245-A1 Neuroprotection by mitochondria-targeted metformin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-28 US disclosed
US-9956233-B2 Neuroprotection by mitochondria-targeted metformin IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-05-01 US disclosed
US-20170275313-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. 2017-09-28 US disclosed
US-20170106006-A1 Neuroprotection by Mitochondria-Targeted Metformin AIX-MARSEILLE UNIVERSITE (FR) 2017-04-20 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 (7 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-11274114-B2 Modified mito-metformin compounds and methods of synthesis and use thereof TFAM, MFN2, MT-ND5 MAOB 1059/4885KDM1A 1930/4885CXCR4 4315/4885
US-20170275313-A1 MODIFIED MITO-METFORMIN COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF TFAM, MFN2, MT-ND5 MAOB 1059/4885KDM1A 1930/4885CXCR4 4315/4885
US-20210061830-A1 MITO-LONIDAMINE, COMPOSITIONS AND METHODS OF USE COX5B, COX5A, LONP1 MAOB 403/4885KDM1A 2121/4885CXCR4 1533/4885
US-20170106006-A1 Neuroprotection by Mitochondria-Targeted Metformin NLN, MFN2, TFAM MAOB 845/4885KDM1A 3249/4885CXCR4 3947/4885
US-10576093-B2 Neuroprotection by mitochondria-targeted metformin NLN, MFN2, TFAM MAOB 845/4885KDM1A 3249/4885CXCR4 3947/4885
US-11352382-B2 Mito-lonidamine, compositions and methods of use COX5B, COX5A, LONP1 MAOB 403/4885KDM1A 2121/4885CXCR4 1533/4885
US-20190091245-A1 Neuroprotection by mitochondria-targeted metformin NLN, MFN2, TFAM MAOB 845/4885KDM1A 3249/4885CXCR4 3947/4885

“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.