SCHEMBL3403655

SCHEMBL3403655

CN(CCN1CCC(c2ccccc2)(N2CCCC2)CC1)C(=O)c1ccc2cc[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
MAPT P10636 5/20 0.41
MAPK14 Q16539 1/20 0.41
HSD17B10 Q99714 6/20 0.41
GHSR Q92847 2/20 0.40
HPGD P15428 3/20 0.39
ALOX12 P18054 1/20 0.39
ENPP2 Q13822 1/20 0.38
PLD2 O14939 1/20 0.38
PLD1 Q13393 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
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

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
SCHEMBL3401680 0.87 ALDH1A1 (0.44) HRH3ALDH1A1KDM4EMAPTMAPK14
SCHEMBL3410705 0.84 HRH3 (0.43) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3409394 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK14HSD17B10
SCHEMBL3409607 0.80 ALDH1A1 (0.46) HRH3ALDH1A1MAPTMAPK14
SCHEMBL3409432 0.80 SIGMAR1 (0.43) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL28026517 0.80 KDM4E (0.45) HRH3KDM4EHSD17B10
SCHEMBL2331745 0.79 HRH3 (0.56) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
Hydrochloric Acid SCHEMBL2333142 0.78 HRH3 (0.55) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL28026045 0.78 HRH3 (0.55) HRH3GRIN2DGRIN3BCYP2B6SLC6A2
SCHEMBL3410197 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMAPK14HSD17B10

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 18 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
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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO 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 405/4885ALDH1A1 886/4885KDM4E 2535/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HRH3 405/4885ALDH1A1 886/4885KDM4E 2535/4885

“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.