SCHEMBL17865773

SCHEMBL17865773

C[C@@H](O)[C@H]1C(=O)N[C@@H]1[C@@H](C)C(=O)N1CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
HSD17B10 Q99714 1/20 0.37
CHRM3 P20309 3/20 0.35
NPSR1 Q6W5P4 1/20 0.34
CHRM1 P11229 3/20 0.33
MMP2 P08253 1/20 0.33
ADAM17 P78536 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
LIPE Q05469 1/20 0.33
CYP2C19 P33261 1/20 0.32
HTR1A P08908 1/20 0.32
PDE9A O76083 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
SCHEMBL17865774 1.00 NPC1 (0.39) NPC1HSD17B10CHRM3NPSR1CHRM1
SCHEMBL19521206 0.95 CHRM3 (0.41) NPC1HSD17B10CHRM3CHRM1TP53
SCHEMBL19521203 0.95 CHRM3 (0.41) NPC1HSD17B10CHRM3CHRM1TP53
SCHEMBL19521209 0.95 CHRM3 (0.41) NPC1HSD17B10CHRM3CHRM1TP53
SCHEMBL19541283 0.95 CHRM3 (0.41) NPC1HSD17B10CHRM3CHRM1TP53
SCHEMBL17999632 0.89 PIK3CD (0.35) MMP2ADAM17ADAMTS5CYP1A2TDP1
SCHEMBL19541670 0.88 ALDH1A1 (0.35) NPC1MMP2ADAM17ADAMTS5LIPE
SCHEMBL20952055 0.88 ALDH1A1 (0.35) NPC1MMP2ADAM17ADAMTS5LIPE
SCHEMBL17865745 0.87 MMP2 (0.33) MMP2ADAM17ADAMTS5
SCHEMBL20153497 0.87 MMP2 (0.33) MMP2ADAM17ADAMTS5

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-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
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 NPC1 212/4885HSD17B10 158/4885CHRM3 806/4885
US-20160229841-A1 NOVEL BETA LACTAMS AS MODULATORS OF GLUTAMATE UPTAKE AND METHODS FOR USE THEREOF SLC1A2, SLC7A11, SLC18A2 NPC1 512/4885HSD17B10 735/4885CHRM3 2851/4885

“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.