SCHEMBL3410705

SCHEMBL3410705

CN(CCN1CCC(c2ccccc2)(N2CCCC2)CC1)C(=O)c1ccc2ccn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
KDM2B Q8NHM5 1/20 0.38
CHRNA7 P36544 1/20 0.38
SSTR5 P35346 1/20 0.37
FAAH O00519 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
CYP2B6 P20813 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
PRCP P42785 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
OPRM1 P35372 3/20 0.36

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
SCHEMBL3403619 0.87 HRH3 (0.41) HRH3KDM2BCHRNA7SSTR5FAAH
SCHEMBL3403655 0.84 HRH3 (0.43) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL14927136 0.83 PLD2 (0.49) CHRNA7
SCHEMBL3407837 0.81 HTR7 (0.41) KDM2BCHRNA7FAAHOPRM1OPRL1
SCHEMBL3404217 0.81 HRH3 (0.44) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL2331745 0.79 HRH3 (0.56) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
Hydrochloric Acid SCHEMBL2333142 0.78 HRH3 (0.55) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL28026045 0.78 HRH3 (0.55) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3407862 0.77 KDM2B (0.38) KDM2BCHRNA7SSTR5FAAHOPRM1
SCHEMBL28026517 0.76 KDM4E (0.45) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US claimed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP claimed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US claimed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO claimed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HRH3 405/4885KDM2B 3265/4885CHRNA7 2327/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HRH3 405/4885KDM2B 3265/4885CHRNA7 2327/4885

“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.