SCHEMBL838908

SCHEMBL838908

ClCCCc1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.36
DAGLA Q9Y4D2 1/20 0.35
AGTR1 P30556 1/20 0.34
AGTR2 P50052 1/20 0.34
HTT P42858 3/20 0.34
PKM P14618 2/20 0.34
NLRP3 Q96P20 1/20 0.34
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD11B1 P28845 3/20 0.32
KDM4C Q9H3R0 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
CCR6 P51684 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3568399 0.95 SLC9A1 (0.35) SLC9A1DAGLAAGTR1AGTR2HTT
SCHEMBL14032263 0.91 AGTR1 (0.35) DAGLAAGTR1AGTR2HTTPKM
SCHEMBL8418644 0.85 DAGLA (0.35) DAGLAAGTR1AGTR2HTTPKM
SCHEMBL7202719 0.85 DAGLA (0.35) DAGLAAGTR1AGTR2HTTPKM
SCHEMBL6854704 0.84 ALDH1A1 (0.39) AGTR1AGTR2HTTPKMNLRP3
SCHEMBL8417361 0.84 DAGLA (0.34) DAGLAAGTR1AGTR2HTTPKM
SCHEMBL3260686 0.81 CYP2A6 (0.34) AGTR1AGTR2HTTPKMNLRP3
SCHEMBL22615880 0.81 HSD11B1 (0.36) DAGLAAGTR1AGTR2ALDH1A1LMNA
SCHEMBL2970884 0.80 LMNA (0.36) DAGLAHTTALDH1A1LMNANPSR1
SCHEMBL1121488 0.78 LMNA (0.35) DAGLAAGTR1AGTR2HTTPKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883786-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2014-11-11 US disclosed
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-02-21 US disclosed
US-8143280-B2 Glucocorticoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-27 US disclosed
EP-2205562-B1 1,1,1-TRIFLUORO-2-HYDROXY-3-PHENYLPROPANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-16 EP disclosed
US-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-7732464-B2 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-02 US disclosed
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US disclosed
US-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists JANSSEN PHARMACEUTICA NV (BE) 2007-08-23 US disclosed
WO-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 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-20070197600-A1 Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists HTR4, HTR2B, HTR5A SLC9A1 2003/4885DAGLA 4084/4885AGTR1 1046/4885
US-20090088425-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SLC9A1 1652/4885DAGLA 1607/4885AGTR1 12/4885
US-20130045972-A1 GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, MC2R SLC9A1 1652/4885DAGLA 1607/4885AGTR1 12/4885

“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.