SCHEMBL3407016

SCHEMBL3407016

CCCCC1(N(C)C)CCN(CCN(C)Cc2c[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.49
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
MPO P05164 3/20 0.39
GPR84 Q9NQS5 1/20 0.39
BCHE P06276 1/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL3405023 0.86 BCHE (0.48) HTR1ADRD2DRD4DRD3DRD1
SCHEMBL4099911 0.80 OPRL1 (0.51) HTR1ASLC6A4DRD2DRD4DRD3
SCHEMBL3405033 0.78 HTR1A (0.46) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3409919 0.78 BCHE (0.47) HTR1ADRD2DRD4DRD3DRD1
SCHEMBL3407864 0.74 KCNH2 (0.41) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL3405528 0.73 SIGMAR1 (0.41) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL4778984 0.72 SLC6A4 (0.68) HTR1ASLC6A4SLC6A2SLC6A3DRD2
SCHEMBL3410720 0.72 SIGMAR1 (0.41) HTR1AHTR1DHTR1BSIGMAR1
SCHEMBL27836165 0.70 HTR1A (0.76) HTR1ASLC6A4SLC6A2SLC6A3MPO
SCHEMBL4103472 0.70 SMN1; SMN2 (0.59) HTR1ADRD2DRD4DRD3DRD1

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 12 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
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
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 19/4885SLC6A4 67/4885SLC6A2 198/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HTR1A 19/4885SLC6A4 67/4885SLC6A2 198/4885

“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.