SCHEMBL3571006

SCHEMBL3571006

Fc1cccc2c(-c3ccc(CN4CCCC4)s3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.40
FTO Q9C0B1 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
SLC6A4 P31645 4/20 0.37
MPO P05164 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
DRD2 P14416 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
SCHEMBL28621819 0.70 WNT1 (0.37) LMNACCNCCDK8
SCHEMBL3573733 0.70 CNR1 (0.58)
SCHEMBL3568121 0.69 HTR6 (0.38) ALDH1A1LMNA
SCHEMBL15799303 0.68 BTK (0.49)
SCHEMBL15799260 0.68 BTK (0.48)
SCHEMBL29479422 0.67 HRH3 (0.58) ALKBH5FTOGPR84SLC6A4MPO
SCHEMBL26508390 0.65 MPO (0.61) ALKBH5FTOGPR84SLC6A4MPO
SCHEMBL11329325 0.64 ALDH1A1 (0.62) ALDH1A1HTTKDM4EMAPTTDP1
SCHEMBL6421446 0.64 KDM4E (0.44) ALDH1A1HTTKDM4EMAPTTDP1
SCHEMBL8177052 0.63 TBK1 (0.45) ALDH1A1HTTKDM4EMAPTTDP1

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-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
CN-100522161-C (indol-3-yl) -heterocyclic derivatives as agonists of the cannabinoid CB1 receptor AKZO NOBEL NV (NL) 2009-08-05 CN disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 US disclosed
CN-1929836-A (indol-3-yl) -heterocyclic derivatives as agonists of the cannabinoid CB1 receptor AKZO NOBEL NV (NL) 2007-03-14 CN disclosed
EP-1725232-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. Organon (NL) 2006-11-29 EP disclosed
WO-2005089754-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR AKZO NOBEL N.V. (NL) 2005-09-29 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 (1 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-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 ALKBH5 3459/4885FTO 3166/4885GPR84 107/4885

“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.