SCHEMBL3585665

SCHEMBL3585665

CC(C)Cn1cc(C(N)=O)c2cc(Cl)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ICMT O60725 9/20 0.50
CNR1 P21554 2/20 0.45
CNR2 P34972 1/20 0.45
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.42
KCNH2 Q12809 2/20 0.40
MAPT P10636 1/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CFD P00746 1/20 0.39

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
SCHEMBL3588680 0.88 ICMT (0.46) ICMTCNR1CNR2POLBKCNH2
SCHEMBL3596003 0.88 ICMT (0.46) ICMTCNR1CNR2POLBKCNH2
SCHEMBL4354642 0.85 ICMT (0.56) ICMTCNR1CNR2MAPT
SCHEMBL3591554 0.82 ALDH1A1 (0.44) ICMTCNR1CNR2KDM4EPOLB
SCHEMBL12479934 0.81 PTGDR2 (0.59) CNR1CNR2KDM4EMAPTCFD
SCHEMBL24144836 0.79 ICMT (0.43) ICMTCNR1CNR2POLBMAPT
SCHEMBL20769701 0.77 ICMT (0.57) ICMT
SCHEMBL20787967 0.77 PDE4A (0.44) ICMTPOLBKCNH2MAPT
SCHEMBL13114466 0.77 KDM4E (0.64) KDM4EPOLBKCNH2MAPT
SCHEMBL2644030 0.77 CPT1A (0.44) ICMTCNR1CNR2POLBMAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 ICMT 946/4885CNR1 7/4885CNR2 20/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 ICMT 441/4885CNR1 43/4885CNR2 62/4885

“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.