SCHEMBL3434428

SCHEMBL3434428

CC(CC(=O)N(C)CCN1CCC(c2ccccc2)(N2CCCC2)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.43
HTR2A P28223 5/20 0.38
HTR7 P34969 4/20 0.38
DRD2 P14416 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
KMT2A Q03164 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3429734 0.93 HRH3 (0.43) HRH3HTR2AHTR7DRD2OPRM1
SCHEMBL3407701 0.89 OPRL1 (0.42) HRH3HTR2AHTR7DRD2OPRM1
SCHEMBL3409873 0.83 OPRL1 (0.42) HTR2AOPRM1OPRL1KMT2AHTR2C
SCHEMBL27836203 0.83 OPRM1 (0.41) HRH3HTR2AHTR7DRD2OPRM1
SCHEMBL3401750 0.82 OPRL1 (0.41) HRH3HTR2AHTR7DRD2OPRM1
SCHEMBL3409607 0.82 ALDH1A1 (0.46) HRH3KMT2AALDH1A1CYP1A2CYP2D6
SCHEMBL13748573 0.81 HRH3 (0.43) HRH3SIGMAR1
SCHEMBL3410680 0.81 NPC1 (0.41) HRH3HTR2AHTR7DRD2OPRM1
SCHEMBL3409859 0.78 OPRL1 (0.41) HTR2AHTR7OPRM1OPRL1KMT2A
SCHEMBL2331745 0.77 HRH3 (0.56) HRH3OPRM1KCNH2SIGMAR1

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
CN-102015683-B The indole derivatives replaced GRUNENTHAL GMBH (DE) 2015-08-05 CN 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
CN-102015683-B The indole derivatives replaced GRUNENTHAL GMBH (DE) 2015-08-05 CN 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
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 405/4885HTR2A 12/4885HTR7 22/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 HRH3 405/4885HTR2A 12/4885HTR7 22/4885

“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.