SCHEMBL3404780

SCHEMBL3404780

CN(CCN1CCC(c2ccccc2)(N2CCCC2)CC1)C(=O)Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.45
DRD4 P21917 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
KCNH2 Q12809 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
TACR2 P21452 3/20 0.40
ACHE P22303 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
GLP1R P43220 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL3401797 0.89 OPRM1 (0.44) SIGMAR1DRD4DRD2HTR2AHTR7
SCHEMBL3406233 0.85 UTS2R (0.45) SIGMAR1DRD4HRH3DRD2ACHE
SCHEMBL3405510 0.84 OPRM1 (0.43) SIGMAR1DRD4DRD2HTR2AHTR7
SCHEMBL27835997 0.84 DRD2 (0.42) SIGMAR1DRD4DRD2HTR2AHTR7
SCHEMBL3409772 0.80 DRD2 (0.43) SIGMAR1DRD4DRD2HTR2AHTR7
SCHEMBL3404104 0.76 ATM (0.53) HRH3OPRM1OPRL1MEN1KMT2A
SCHEMBL2331745 0.76 HRH3 (0.56) SIGMAR1HRH3KCNH2OPRM1
SCHEMBL3408808 0.75 NPSR1 (0.42) SIGMAR1DRD4DRD2HTR2AHTR7
SCHEMBL3409607 0.75 ALDH1A1 (0.46) HRH3TACR2MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2333142 0.75 HRH3 (0.55) SIGMAR1HRH3KCNH2OPRM1MEN1

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 20 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
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
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 SIGMAR1 235/4885DRD4 759/4885HRH3 405/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 SIGMAR1 235/4885DRD4 759/4885HRH3 405/4885

“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.