SCHEMBL3581844

SCHEMBL3581844

NC(=O)C1COCCN1CCNC(=O)[CH]COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.41
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP2C19 P33261 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.35
OPRL1 P41146 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CTSK P43235 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
AADAT Q8N5Z0 1/20 0.33

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
SCHEMBL3586018 0.87 MAOB (0.45) MAOBMAOAPOLBSMN1; SMN2CYP2C19
SCHEMBL7405693 0.84 MAOB (0.54) MAOBMAOAMEN1KMT2ASPHK1
SCHEMBL27819989 0.73 MAOB (0.62) MAOBMAOAPOLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL28137849 0.72 MAOB (0.61) MAOBMAOAPOLBSMN1; SMN2MEN1
SCHEMBL5772686 0.70 MAOB (0.42) MAOBKMT2ANPSR1TSHRCYP3A4
SCHEMBL6252598 0.70 MAOB (0.42) MAOBMAOAPOLBSMN1; SMN2KMT2A
SCHEMBL7371153 0.70 SPHK1 (0.57) MAOBMAOASPHK1
SCHEMBL7341840 0.69 SPHK1 (0.54) MAOBMAOASMN1; SMN2SPHK1
SCHEMBL7433988 0.69 MAOB (0.60) MAOBMAOAMEN1KMT2ASPHK1
SCHEMBL31536575 0.68 MEN1 (0.56) MAOBSMN1; SMN2CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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 (1 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 MAOB 2725/4885MAOA 3631/4885POLB 4670/4885

“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.