SCHEMBL1710152

SCHEMBL1710152

N=C1NCCN1C[PH](=O)O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
Cyclocreatine SCHEMBL7935371 0.73 CYP2D6 (0.39) ALDH1A1POLB
Cyclocreatine SCHEMBL450343 0.73 CYP2D6 (0.39) ALDH1A1POLB
SCHEMBL856041 0.72
Cyclocreatine SCHEMBL11796002 0.72 CYP2D6 (0.38) ALDH1A1POLB
SCHEMBL14537232 0.72 BDKRB2 (0.33)
SCHEMBL19719147 0.72
SCHEMBL9889349 0.71
SCHEMBL13248108 0.71
SCHEMBL938191 0.71 KMT2A (0.39) ALDH1A1POLB
Bromide SCHEMBL31141398 0.70

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
US-20230285338-A9 METHODS FOR TREATING MICROGLIAL DYSFUNCTION WASHINGTON UNIVERSITY 2023-09-14 US disclosed
US-20230285338-A9 METHODS FOR TREATING MICROGLIAL DYSFUNCTION WASHINGTON UNIVERSITY 2023-09-14 US disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
US-20210393563-A1 METHODS FOR TREATING MICROGLIAL DYSFUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-23 US disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20080119450-A1 Use of creatine or creatine analogs for the treatment of diseases of the nervous system AVICENA GROUP, INC. (US) 2008-05-22 US disclosed
US-20070253944-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-11-01 US disclosed
US-20070253944-A1 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-11-01 US disclosed
US-7285573-B2 Use of creatine or creatine analogs for the treatment of diseases of the nervous system AVICENA GROUP, INC. (US) 2007-10-23 US disclosed
US-7285573-B2 Use of creatine or creatine analogs for the treatment of diseases of the nervous system AVICENA GROUP, INC. (US) 2007-10-23 US disclosed
US-7186754-B2 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-03-06 US disclosed
US-7186754-B2 Use of creatine or creatine compounds for skin preservation AVICENA GROUP, INC. (US) 2007-03-06 US disclosed
US-6706764-B2 TREATMENT OF DIABETIC AND TOXIC NEUROPATHIES, PERIPHERAL NERVOUS SYSTEM DISEASES, ALZHEIMER DISEASE, PARKINSON'S DISEASE, STROKE, HUNTINGTON'S DISEASE, AMYOTROPIC LATERAL SCLEROSIS AVICENA GROUP, INC. 2004-03-16 US disclosed
US-6706764-B2 TREATMENT OF DIABETIC AND TOXIC NEUROPATHIES, PERIPHERAL NERVOUS SYSTEM DISEASES, ALZHEIMER DISEASE, PARKINSON'S DISEASE, STROKE, HUNTINGTON'S DISEASE, AMYOTROPIC LATERAL SCLEROSIS AVICENA GROUP, INC. 2004-03-16 US disclosed
WO-1996016629-A2 PHOSPHINIC CREATINE COMPOUNDS HAVING ANTIVIRAL ACTIVITY AMIRA INC (US) 1996-06-06 WO 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 (6 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 ALDH1A1 1159/4885POLB 262/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALDH1A1 2023/4885POLB 1948/4885
US-20070253944-A1 Use of creatine or creatine compounds for skin preservation PC, CKMT1A; CKMT1B, CHEK1 ALDH1A1 2904/4885POLB 352/4885
US-20210393563-A1 METHODS FOR TREATING MICROGLIAL DYSFUNCTION CHRNB2, PSEN2, CX3CR1 ALDH1A1 2323/4885POLB 3048/4885
US-20230285338-A9 METHODS FOR TREATING MICROGLIAL DYSFUNCTION CX3CR1, CD68, FYN ALDH1A1 3841/4885POLB 3178/4885
US-20080119450-A1 Use of creatine or creatine analogs for the treatment of diseases of the nervous system CKMT1A; CKMT1B, PC, PCK2 ALDH1A1 4225/4885POLB 611/4885

“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.