SCHEMBL733304

SCHEMBL733304

c1ccc2c(CC3CCCCC3)c[nH]c2c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.73
BCHE P06276 5/20 0.63
HTR6 P50406 8/20 0.63
LMNA P02545 3/20 0.63
HTT P42858 2/20 0.63
KMT2A Q03164 2/20 0.63
ACHE P22303 1/20 0.62
MAPT P10636 2/20 0.60
ALDH1A1 P00352 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TRPA1 O75762 1/20 0.58
MEN1 O00255 1/20 0.56
CYP3A4 P08684 1/20 0.56
AHR P35869 1/20 0.56
GPR84 Q9NQS5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL12765737 0.91 SLC6A4 (0.81) SLC6A4BCHEHTR6LMNAHTT
SCHEMBL18426580 0.85 SLC6A4 (0.76) SLC6A4BCHELMNAHTTKMT2A
SCHEMBL30592374 0.85 SLC6A4 (1.00) SLC6A4HTR6KMT2AMAPTMEN1
SCHEMBL1998835 0.85 SLC6A4 (1.00) SLC6A4HTR6KMT2AMAPTMEN1
SCHEMBL31302691 0.83 SLC6A4 (0.68) SLC6A4BCHEHTR6LMNAHTT
SCHEMBL31302667 0.83 SLC6A4 (0.68) SLC6A4BCHEHTR6LMNAHTT
SCHEMBL4822564 0.81 SLC6A4 (0.71) SLC6A4BCHEHTR6KMT2AMAPT
SCHEMBL8790419 0.80 HTR6 (0.91) SLC6A4HTR6LMNAHTTKMT2A
SCHEMBL11471892 0.79 BCHE (0.79) BCHELMNAHTTKMT2AMAPT
Ethoxycarbonyl Group SCHEMBL27597886 0.79 SLC6A4 (0.56) SLC6A4BCHEHTR6LMNAKMT2A

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
CN-104177283-B The method preparing bisindole methane derivative in the presence of amine salt 陕西师范大学 2016-08-17 CN disclosed
CN-104177283-A Method for preparing bis (indolyl) methane derivative in presence of amine salt UNIV SHAANXI NORMAL 2014-12-03 CN disclosed
CN-103467354-A Method for preparing diindolyl methane derivatives UNIV SHAANXI NORMAL 2013-12-25 CN disclosed
EP-2044016-B1 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM GRUENENTHAL GMBH (DE) 2012-12-05 EP disclosed
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 US disclosed
EP-2044016-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2009-04-08 EP disclosed
WO-2008009415-A2 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM Grünenthal GmbH (DE) 2008-01-24 WO disclosed
CN-100351234-C Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA TAU IND FARMACEUTI (IT) 2007-11-28 CN disclosed
CN-1733722-A Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA TAU IND FARMACEUTI (IT) 2006-02-15 CN disclosed
CN-1232518-C Bis-heterocyclic compounds with antitumor and chemosensitive activity SIGMA TAU IND FARMACEUTI (IT) 2005-12-21 CN disclosed
CN-1473150-A Bis-heterocyclic compounds with antitumor and chemosensitive activity ϣ��������ҩ��ҵ��˾ 2004-02-04 CN 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 (1 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 SLC6A4 1150/4885BCHE 2886/4885HTR6 254/4885

“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.