SCHEMBL3585637

SCHEMBL3585637

O=C1N(CCS(=O)(=O)N2CCOCC2)CC(c2cccc(Oc3cccnn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
FAAH O00519 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL3585633 1.00 ALDH1A1 (0.33) ALDH1A1FAAHL3MBTL1HRH4CNR1
SCHEMBL3593727 0.93 FAAH (0.33) ALDH1A1FAAH
SCHEMBL3592132 0.93 FAAH (0.33) ALDH1A1FAAHCNR1CNR2
SCHEMBL3593731 0.93 FAAH (0.33) ALDH1A1FAAH
SCHEMBL3592129 0.93 FAAH (0.33) ALDH1A1FAAHCNR1CNR2
SCHEMBL3588637 0.92 L3MBTL1 (0.33) FAAHL3MBTL1
SCHEMBL3588640 0.92 L3MBTL1 (0.33) FAAHL3MBTL1
SCHEMBL3589752 0.88 ALDH1A1 (0.34) ALDH1A1FAAHL3MBTL1HRH4CNR1
SCHEMBL3589748 0.88 ALDH1A1 (0.34) ALDH1A1FAAHL3MBTL1HRH4CNR1
SCHEMBL3597619 0.87 P2RX3 (0.33) FAAH

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
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885FAAH 3/4885L3MBTL1 4596/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885FAAH 3/4885L3MBTL1 4596/4885

“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.