SCHEMBL3518696

SCHEMBL3518696

NC(=O)[C@H]1CCCN(CCO)C1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.65
GAA P10253 1/20 0.54
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL14524626 1.00 BCHE (0.65) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL14315095 0.89 SMN1; SMN2 (0.53) BCHEGAAALDH1A1KMT2AMAPK1
SCHEMBL12011335 0.86 BCHE (0.65) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL29833362 0.85 BCHE (0.59) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL30587413 0.84 BCHE (0.72) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL7220527 0.84 BCHE (0.63) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL12155343 0.84 BCHE (0.77) BCHEGAAALDH1A1KMT2AMAPK1
SCHEMBL30587417 0.84 BCHE (0.72) BCHEGAAALDH1A1KMT2AMEN1
SCHEMBL3840286 0.84 SLC6A1 (0.54) ALDH1A1LMNA
SCHEMBL5047341 0.83 BCHE (0.70) BCHEGAAALDH1A1KMT2AMEN1

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
EP-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 EP disclosed
US-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 US disclosed
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) N.V. ORGANON (NL) 2009-01-29 US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 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 (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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 BCHE 1587/4885GAA 4405/4885ALDH1A1 198/4885
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) CNR1, OPRL1, CNR2 BCHE 862/4885GAA 4451/4885ALDH1A1 2676/4885

“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.