SCHEMBL3410197

SCHEMBL3410197

CCCCC1(N(C)C)CCN(CCN(C)C(=O)c2ccc3cc[nH]c3c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 6/20 0.42
KDM4E B2RXH2 6/20 0.42
ACHE P22303 1/20 0.41
HTR4 Q13639 1/20 0.41
MAPT P10636 5/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HPGD P15428 3/20 0.38
ENPP2 Q13822 1/20 0.38
MAPK14 Q16539 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
ALOX12 P18054 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL3407862 0.83 KDM2B (0.38) ALDH1A1OPRM1MAPK14PDK2L3MBTL1
SCHEMBL3401680 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTOPRM1
SCHEMBL3405528 0.79 SIGMAR1 (0.41) ACHEHTR4OPRM1CYP2D6SLC6A2
SCHEMBL3404191 0.77 TACR2 (0.46) ALDH1A1HSD17B10HPGDCYP2D6SMN1; SMN2
SCHEMBL3403655 0.77 HRH3 (0.43) ALDH1A1HSD17B10KDM4EMAPTHPGD
SCHEMBL3409394 0.76 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EMAPTOPRM1
SCHEMBL3403052 0.75 ATM (0.48) ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL3407864 0.74 KCNH2 (0.41) ACHEHTR4MAPK14CYP2D6SLC6A2
SCHEMBL2334139 0.74 OPRM1 (0.42) ALDH1A1KDM4EOPRM1S1PR1
SCHEMBL4107096 0.73 HRH4 (0.48) ALDH1A1KDM4EMAPTHPGDL3MBTL1

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 18 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
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 ALDH1A1 886/4885HSD17B10 1760/4885KDM4E 2535/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 ALDH1A1 886/4885HSD17B10 1760/4885KDM4E 2535/4885

“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.