SCHEMBL284527

SCHEMBL284527

CC(C)c1cc(/N=C/N(C)C)n(CC2CCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.33
SLC6A4 P31645 13/20 0.33
HTR2A P28223 8/20 0.33
PDE5A O76074 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
P2RY14 Q15391 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL284528 1.00 HTR2C (0.33) HTR2CSLC6A4HTR2APDE5APDE4A
SCHEMBL12440140 0.72 MAPT (0.43) HTR2CSLC6A4HTR2AP2RY14MAPT
SCHEMBL284551 0.72 MAPT (0.46) HTR2CSLC6A4HTR2AP2RY14MAPT
SCHEMBL16168602 0.72 MAPT (0.43) HTR2CSLC6A4HTR2AP2RY14MAPT
SCHEMBL23566807 0.66 CRHR1 (0.43) MAPTMEN1RAB9AKMT2ANPSR1
SCHEMBL2818002 0.66 CNR2 (0.39) HTR2CSLC6A4HTR2ACNR2
SCHEMBL2818007 0.66 CNR2 (0.39) HTR2CSLC6A4HTR2ACNR2
SCHEMBL22667106 0.65 CRHR1 (0.50) HTR2CSLC6A4HTR2AP2RY14MAPT
SCHEMBL2815443 0.63
SCHEMBL2815165 0.63

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
EP-2428507-B1 Cannabinoid receptor ligands ABBVIE BAHAMAS LTD (BS) 2015-10-21 EP disclosed
EP-2896615-A1 Cannabinoid receptor ligands AbbVie Bahamas Limited (BS) 2015-07-22 EP disclosed
US-8859596-B2 Compounds as cannabinoid receptor ligands ABBVIE INC. (US) 2014-10-14 US disclosed
US-8188135-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
EP-2428507-A2 Cannabinoid receptor ligands Abbott Laboratories (US) 2012-03-14 EP disclosed
US-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 US disclosed
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-18 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-20100069348-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R HTR2C 128/4885SLC6A4 385/4885HTR2A 158/4885
US-20100069349-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPY1R HTR2C 128/4885SLC6A4 385/4885HTR2A 158/4885

“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.