SCHEMBL17865731

SCHEMBL17865731

COc1ccc(N2CCN(C(=O)[C@H](C)[C@H]3NC(=O)[C@@H]3[C@@H](C)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
AKR1C3 P42330 1/20 0.47
HTT P42858 2/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
GFER P55789 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL20153491 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17969615 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17865732 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL20153496 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL17865733 0.86 POLB (0.46) ALDH1A1KMT2AMAPTMAPK1AKR1C3
SCHEMBL17865752 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL17865774 0.78 NPC1 (0.39) HSD17B10TP53
SCHEMBL17999632 0.78 PIK3CD (0.35) ALDH1A1KMT2AMAPTGFER
SCHEMBL17865773 0.78 NPC1 (0.39) HSD17B10TP53
SCHEMBL20952055 0.78 ALDH1A1 (0.35) ALDH1A1KDM4EKMT2AHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250057808-A1 COMPOSITION COMPRISING BETA LACTAM FOR TREATING ALCOHOL DEPENDENCE AND ALCOHOL ASSOCIATED DISEASES OR CONDITIONS UNIVERSITY OF TOLEDO 2025-02-20 US claimed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US claimed
WO-2016184911-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF THE NEUROPATHOLOGY OF PATIENTS SUFFERING FROM MYOTONIC DYSTROPHY TYPE 1 (DM1) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-11-24 WO claimed
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US claimed
EP-3036219-A2 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF Temple University Of The Commonwealth System Of Higher Education (US) 2016-06-29 EP claimed
US-20250057808-A1 COMPOSITION COMPRISING BETA LACTAM FOR TREATING ALCOHOL DEPENDENCE AND ALCOHOL ASSOCIATED DISEASES OR CONDITIONS UNIVERSITY OF TOLEDO 2025-02-20 US disclosed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US disclosed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US disclosed
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US disclosed
WO-2016184911-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF THE NEUROPATHOLOGY OF PATIENTS SUFFERING FROM MYOTONIC DYSTROPHY TYPE 1 (DM1) INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2016-11-24 WO disclosed
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-11 US disclosed
EP-3036219-A2 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF Temple University Of The Commonwealth System Of Higher Education (US) 2016-06-29 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-20250057808-A1 COMPOSITION COMPRISING BETA LACTAM FOR TREATING ALCOHOL DEPENDENCE AND ALCOHOL ASSOCIATED DISEASES OR CONDITIONS ADH1A, ADH1C, SLC10A1 L3MBTL1 3671/4885ALDH1A1 41/4885KDM4E 1875/4885
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF SLC1A2, SLC7A11, SLC18A2 L3MBTL1 3950/4885ALDH1A1 1006/4885KDM4E 1914/4885

“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.