SCHEMBL3589166

SCHEMBL3589166

O=C1OCC(c2cccc(Oc3ccccn3)c2)N1c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
FFAR4 Q5NUL3 2/20 0.40
CFTR P13569 1/20 0.40
IDH1 O75874 7/20 0.39
QPCT Q16769 2/20 0.38
GRM5 P41594 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TLR4 O00206 1/20 0.35
TLR2 O60603 1/20 0.35
P2RX3 P56373 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
SCHEMBL3589164 1.00 TNKS (0.43) TNKSTNKS2FFAR4CFTRIDH1
SCHEMBL3598708 0.89 TNKS (0.43) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL3598712 0.89 TNKS (0.43) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL3592965 0.88 SLC6A2 (0.38) TNKSTNKS2IDH1QPCTP2RX3
SCHEMBL3592961 0.88 SLC6A2 (0.38) TNKSTNKS2IDH1QPCTP2RX3
SCHEMBL3580695 0.87 TNKS (0.39) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL3580691 0.87 TNKS (0.39) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL13168033 0.86 TAAR1 (0.42) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL3589406 0.82 QPCT (0.37) TNKSTNKS2IDH1QPCTHDAC1
SCHEMBL3589403 0.82 QPCT (0.37) TNKSTNKS2IDH1QPCTHDAC1

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 9 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
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO 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 932/4885TNKS2 1965/4885FFAR4 531/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH TNKS 932/4885TNKS2 1965/4885FFAR4 531/4885

“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.