SCHEMBL1322807

SCHEMBL1322807

N#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(C(N)=O)cc4)CC3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.41
HAT1 O14929 2/20 0.40
EP300 Q09472 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
PARP10 Q53GL7 1/20 0.39
CHEK2 O96017 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
IMPDH2 P12268 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL1322809 0.87 HRH3 (0.42) HAT1EP300ADRA1DHRH3IMPDH2
SCHEMBL1322882 0.79 HTR1A (0.45) HRH3KCNH2HTR7
SCHEMBL4504360 0.78 IMPDH2 (0.36) HAT1EP300PARP10CHEK2HRH3
SCHEMBL1324162 0.78 HTR7 (0.51) HTR7
SCHEMBL13633560 0.77 ADRA1D (0.42) ADRA1DADRA1BKCNH2
SCHEMBL5522026 0.76 LMNA (0.61) OPRK1PARP10CHEK2LMNAOPRM1
SCHEMBL1406345 0.74 HTR1A (0.45) HTR7
SCHEMBL13633559 0.74 ADRA2A (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL1322798 0.73 GRIN2B (0.56)
SCHEMBL1323768 0.72 SLC6A2 (0.65) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US claimed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP claimed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US claimed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US claimed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US claimed
US-20050153980-A1 Substituted indoles MERCK PATENT GMBH (DE) 2005-07-14 US claimed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20050153980-A1 Substituted indoles MERCK PATENT GMBH (DE) 2005-07-14 US disclosed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP disclosed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 WO 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 (3 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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A OPRK1 393/4885HAT1 1370/4885EP300 1176/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A OPRK1 324/4885HAT1 1154/4885EP300 1106/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A OPRK1 324/4885HAT1 1154/4885EP300 1106/4885

“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.