SCHEMBL3060855

SCHEMBL3060855

COC(=O)c1ccc(C(=O)N2CCN(c3nc(C4(c5ccccc5)CCC(=O)CC4)ns3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
OPRK1 P41145 1/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 7/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CRBN Q96SW2 1/20 0.38
SLC6A7 Q99884 1/20 0.38

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
SCHEMBL3045491 0.86 SLC6A7 (0.44) ALDH1A1KMT2AFAAHMAPTHPGD
SCHEMBL3059313 0.83 ABL1 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL3055722 0.83 MGLL (0.51) ALDH1A1FAAHNPC1RAB9ASLC6A7
SCHEMBL3068834 0.83 MEN1 (0.41) OPRD1OPRK1KMT2AFAAHSLC6A7
SCHEMBL3058982 0.81 PDE4B (0.46) ALDH1A1MAPTLMNA
SCHEMBL3055766 0.81 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL3064214 0.81 KMT2A (0.41) ALDH1A1KMT2AFAAHMAPTLMNA
SCHEMBL3063959 0.80 GRM5 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAMAPK1
SCHEMBL3067188 0.80 MGLL (0.53) OPRD1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3044774 0.79 MGLL (0.44) ALDH1A1FAAHMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 OPRD1 453/4885OPRK1 1158/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 OPRD1 453/4885OPRK1 1158/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 OPRD1 453/4885OPRK1 1158/4885ALDH1A1 1930/4885

“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.