SCHEMBL3582513

SCHEMBL3582513

O=C1NCC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.37
FAAH O00519 1/20 0.36
MAPT P10636 1/20 0.36
QPCT Q16769 6/20 0.36
P2RX3 P56373 3/20 0.36
HRH3 Q9Y5N1 1/20 0.35
QPCTL Q9NXS2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3582511 1.00 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3583868 0.97 FAAH (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3583863 0.97 FAAH (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL14161905 0.87 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3592961 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3592965 0.86 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3592535 0.85 ALDH1A1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3592531 0.85 ALDH1A1 (0.40) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3584527 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL13168423 0.85 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA

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-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 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 SLC6A2 3123/4885SLC6A4 2606/4885SLC6A3 2495/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH SLC6A2 3123/4885SLC6A4 2606/4885SLC6A3 2495/4885

“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.