SCHEMBL3520525

SCHEMBL3520525

O=C(CCO)NC1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.60
GNAO1 P09471 1/20 0.60
GNAI1 P63096 1/20 0.60
EPHX1 P07099 5/20 0.57
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.48
CHRM3 P20309 2/20 0.45
CHRM5 P08912 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 2/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
NCOR2 Q9Y618 1/20 0.42
EPHX2 P34913 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
SCHEMBL9345622 0.89 GNAI3 (0.66) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL13459930 0.89 GNAI3 (0.49) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL6003417 0.85
SCHEMBL5106542 0.83 EPHX1 (0.61) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL22354542 0.82 ALDH1A1 (0.67) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL11981666 0.82 GNAI3 (0.73) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL28172495 0.82 GNAI3 (0.58) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL6002698 0.81 SMN1; SMN2 (0.65) EPHX1SMN1; SMN2ALDH1A1HPGDHDAC3
Hydrochloric Acid SCHEMBL7423752 0.81 GNAI3 (0.76) GNAI3GNAO1GNAI1EPHX1POLB
SCHEMBL13459399 0.79 GNAI3 (0.84) GNAI3GNAO1GNAI1EPHX1POLB

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 5 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
EP-1919471-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2008-05-14 EP disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 US disclosed
WO-2007023143-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. ORGANON (NL) 2007-03-01 WO 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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 GNAI3 369/4885GNAO1 1483/4885GNAI1 370/4885

“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.