SCHEMBL17761202

SCHEMBL17761202

NC(=O)CC1(c2ccccc2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.56
HSD11B1 P28845 1/20 0.54
LMNA P02545 5/20 0.51
SLC6A4 P31645 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKR1C1 Q04828 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46

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
SCHEMBL4866308 0.98 DPP4 (0.58) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL6208426 0.90 SLC6A4 (0.64) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL6208549 0.88 SLC6A4 (0.61) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL5365797 0.85 HSD11B1 (0.72) DPP4HSD11B1LMNASLC6A4L3MBTL1
Hydrochloric Acid SCHEMBL11526870 0.84 HSD11B1 (0.70) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL977926 0.83 HSD11B1 (0.69) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL17761201 0.83 HSD11B1 (0.51) HSD11B1SLC6A4L3MBTL1SLC6A2SLC6A3
SCHEMBL3545674 0.83 HSD11B1 (0.47) DPP4HSD11B1LMNASLC6A4L3MBTL1
SCHEMBL6491320 0.83 HSD11B1 (0.51) HSD11B1LMNASLC6A4L3MBTL1SLC6A2
SCHEMBL12836593 0.83 SLC6A3 (0.62) HSD11B1SLC6A4SLC6A2SLC6A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2021-05-06 US disclosed
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 US disclosed
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. 2016-05-19 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 (3 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-20210130285-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 DPP4 1957/4885HSD11B1 1180/4885LMNA 1000/4885
US-20160137592-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS SMN1; SMN2, HDAC6, HDAC3 DPP4 1957/4885HSD11B1 1180/4885LMNA 1000/4885
US-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA DPP4 2037/4885HSD11B1 1367/4885LMNA 680/4885

“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.