SCHEMBL3405033

SCHEMBL3405033

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.46
SIGMAR1 Q99720 3/20 0.43
SLC6A4 P31645 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
DRD1 P21728 1/20 0.39
DRD5 P21918 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GPR84 Q9NQS5 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
SCHEMBL3405547 0.89 OPRM1 (0.51) HTR1ASIGMAR1SLC6A4OPRM1OPRL1
SCHEMBL4099911 0.88 OPRL1 (0.51) HTR1ASIGMAR1SLC6A4OPRM1OPRL1
SCHEMBL3406233 0.85 UTS2R (0.45) HTR1ASIGMAR1SLC6A4BCHEACHE
SCHEMBL3408077 0.80 BCHE (0.48) HTR1ASIGMAR1SLC6A4OPRM1OPRL1
SCHEMBL3407016 0.78 HTR1A (0.49) HTR1ASIGMAR1SLC6A4BCHEHTR1D
SCHEMBL3409398 0.77 OPRL1 (0.51) HTR1ASLC6A4OPRM1OPRL1BCHE
SCHEMBL4103306 0.76 SIGMAR1 (0.43) SIGMAR1SLC6A4OPRM1SLC6A2SLC6A3
SCHEMBL3410692 0.76 OPRL1 (0.65) HTR1ASIGMAR1OPRM1OPRL1BCHE
SCHEMBL3408009 0.75 HTR6 (0.55) HTR1ASLC6A4OPRM1OPRL1HTR1D
SCHEMBL3409432 0.75 SIGMAR1 (0.43) SIGMAR1SLC6A4OPRM1SLC6A2SLC6A3

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 10 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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 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 HTR1A 19/4885SIGMAR1 235/4885SLC6A4 67/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR1A 19/4885SIGMAR1 235/4885SLC6A4 67/4885

“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.