SCHEMBL3592535

SCHEMBL3592535

O=C1CCC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
TNKS O95271 4/20 0.39
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL3592531 1.00 ALDH1A1 (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3582513 0.85 SLC6A2 (0.39) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3582511 0.85 SLC6A2 (0.39) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592961 0.83 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3592965 0.83 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3590697 0.83 TNKS (0.39) ALDH1A1LMNATNKSHDAC1HDAC8
SCHEMBL3590704 0.83 TNKS (0.39) ALDH1A1LMNATNKSHDAC1HDAC8
SCHEMBL4447057 0.83 SLC6A2 (0.38) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL4436288 0.83 ALDH1A1 (0.39) ALDH1A1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL3583868 0.83 FAAH (0.40) ALDH1A1LMNASLC6A2SLC6A4SLC6A3

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 ALDH1A1 2743/4885LMNA 2549/4885SLC6A2 3123/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH ALDH1A1 2743/4885LMNA 2549/4885SLC6A2 3123/4885

“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.