SCHEMBL3406233

SCHEMBL3406233

CN(CCN1CCC(c2ccccc2)(N2CCCC2)CC1)C(=O)Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
HTR1A P08908 4/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
HRH3 Q9Y5N1 2/20 0.40
SLC6A4 P31645 1/20 0.38
DRD4 P21917 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3405033 0.85 HTR1A (0.46) UTS2RSIGMAR1HTR1ABCHEACHE
SCHEMBL3404780 0.85 SIGMAR1 (0.45) SIGMAR1ACHEDRD2HRH3DRD4
SCHEMBL3409909 0.84 HTR1A (0.48) UTS2RSIGMAR1HTR1ABCHEACHE
SCHEMBL27854001 0.84 SIGMAR1 (0.42) UTS2RSIGMAR1HTR1ABCHEACHE
SCHEMBL3409607 0.77 ALDH1A1 (0.46) HRH3MEN1KMT2A
SCHEMBL3434428 0.76 HRH3 (0.43) SIGMAR1DRD2HRH3KMT2A
SCHEMBL3429734 0.76 HRH3 (0.43) SIGMAR1DRD2HRH3KMT2A
SCHEMBL2331745 0.76 HRH3 (0.56) SIGMAR1HRH3SLC6A4
Hydrochloric Acid SCHEMBL2333142 0.75 HRH3 (0.55) SIGMAR1HRH3SLC6A4MEN1KMT2A
SCHEMBL28026045 0.75 HRH3 (0.55) SIGMAR1ACHEHRH3SLC6A4

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 16 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
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 UTS2R 2606/4885SIGMAR1 235/4885HTR1A 19/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 UTS2R 2606/4885SIGMAR1 235/4885HTR1A 19/4885

“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.