SCHEMBL3590704

SCHEMBL3590704

O=C1CCC(c2cccc(Oc3cccnn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
P2RX3 P56373 6/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
FAAH O00519 2/20 0.34
MDM2 Q00987 1/20 0.33

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
SCHEMBL3590697 1.00 TNKS (0.39) TNKSLMNAALDH1A1P2RX3HDAC1
SCHEMBL3592602 0.85 P2RX3 (0.36) LMNAALDH1A1P2RX3FAAH
SCHEMBL3592597 0.85 P2RX3 (0.36) LMNAALDH1A1P2RX3FAAH
SCHEMBL3592535 0.83 ALDH1A1 (0.40) TNKSLMNAALDH1A1P2RX3HDAC1
SCHEMBL3580691 0.83 TNKS (0.39) TNKSLMNAALDH1A1P2RX3HDAC1
SCHEMBL3592531 0.83 ALDH1A1 (0.40) TNKSLMNAALDH1A1P2RX3HDAC1
SCHEMBL3580695 0.83 TNKS (0.39) TNKSLMNAALDH1A1P2RX3HDAC1
SCHEMBL4436415 0.82 LMNA (0.36) LMNAALDH1A1P2RX3FAAH
SCHEMBL3586828 0.80 ALDH1A1 (0.47) ALDH1A1MDM2
SCHEMBL3586830 0.80 ALDH1A1 (0.47) ALDH1A1MDM2

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 7 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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (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 TNKS 932/4885LMNA 2549/4885ALDH1A1 2743/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TNKS 932/4885LMNA 2549/4885ALDH1A1 2743/4885

“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.