SCHEMBL938191

SCHEMBL938191

N=C1NCCN1CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 2/20 0.37
APEX1 P27695 1/20 0.35
GLA P06280 1/20 0.35
ALOX15 P16050 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
CYP1A2 P05177 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.31
RAB9A P51151 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
SCHEMBL6070489 0.81 KMT2A (0.44) KMT2AKDM4EMEN1POLBMAPT
Cyclocreatine SCHEMBL7935371 0.81 CYP2D6 (0.39) KMT2AKDM4EPOLBTDP1TSHR
Cyclocreatine SCHEMBL450343 0.81 CYP2D6 (0.39) KMT2AKDM4EPOLBTDP1TSHR
Cyclocreatine SCHEMBL11796002 0.79 CYP2D6 (0.38) KMT2AKDM4EPOLBTDP1TSHR
Cyclocreatine SCHEMBL1980714 0.78 CYP2D6 (0.37) KMT2AKDM4EPOLBTDP1TSHR
Cyclocreatine SCHEMBL1981687 0.74 INMT (0.40) KMT2APOLBTSHR
SCHEMBL12647102 0.72
SCHEMBL27454117 0.72 ALDH1A1 (0.33) POLBALDH1A1
SCHEMBL14537232 0.72 BDKRB2 (0.33) KMT2AMEN1TSHRSMN1; SMN2RAB9A
SCHEMBL19719147 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014152042-A2 IMPROVED TECHNIQUES, SYSTEMS AND MACHINE READABLE PROGRAMS FOR MAGNETIC RESONANCE MILLIKELVIN TECHNOLOGIES LLC (US) 2014-09-25 WO claimed
US-20140285192-A1 TECHNIQUES, SYSTEMS AND MACHINE READABLE PROGRAMS FOR MAGNETIC RESONANCE MILLIKELVIN TECHNOLOGIES LLC (US) 2014-09-25 US claimed
EP-0426100-B1 Stabilized enzyme compositions ABBOTT LAB (US) 1994-12-14 EP claimed
EP-0426100-A1 Stabilized enzyme compositions ABBOTT LABORATORIES (US) 1991-05-08 EP claimed
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
US-20230248751-A1 NOVEL BIOENERGETIC/ANTI INFLAMMATORY THERAPY NOUR HEART, INC. 2023-08-10 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
WO-1994016712-A9 CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR 1994-09-15 WO disclosed
WO-1994016712-A1 CREATINE PHOSPHATE, CREATINE PHOSPHATE ANALOGS, AND USES THEREFOR AMIRA, INC. (US) 1994-08-04 WO disclosed
US-5324731-A Method of inhibiting transformation of cells in which purine metabolic enzyme activity is elevated AMIRA, INC. (US) 1994-06-28 US disclosed
US-5321030-A Administering for treatment or prevention AMIRA, INC. (US) 1994-06-14 US disclosed
EP-0557383-A1 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1993-09-01 EP disclosed
WO-1993012781-A2 CREATINE ANALOGS HAVING ANTIVIRAL ACTIVITY AMIRA, INC. (US) 1993-07-08 WO disclosed
WO-1992008456-A2 METHOD OF INHIBITING TRANSFORMATION, GROWTH AND METASTASIS OF CELLS IN WHICH PURINE METABOLIC ENZYME ACTIVITY IS ELEVATED AMIRA, INC. (US) 1992-05-29 WO disclosed
EP-0426100-A1 Stabilized enzyme compositions ABBOTT LABORATORIES (US) 1991-05-08 EP 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 (2 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 KMT2A 3661/4885KDM4E 3385/4885MEN1 3453/4885
US-20210393563-A1 METHODS FOR TREATING MICROGLIAL DYSFUNCTION CHRNB2, PSEN2, CX3CR1 KMT2A 2657/4885KDM4E 3658/4885MEN1 4782/4885

“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.