SCHEMBL5386436

SCHEMBL5386436

COC(=O)CN1CCCCC1C1CCNC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TACR1 P25103 1/20 0.32
MMP1 P03956 2/20 0.32
MMP3 P08254 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EPHX2 P34913 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL8024517 0.80 SIGMAR1 (0.38) OPRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8512656 0.76 HTR6 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL17001721 0.74 HRH3 (0.40) OPRK1TACR1HRH3TSHRALDH1A1
Hydrochloric Acid SCHEMBL27487446 0.73 LTA4H (0.37) TSHRCHRM5CHRM3SIGMAR1
SCHEMBL23317870 0.71 CHRM2 (0.48) HRH3TSHRALDH1A1CYP1A2CYP2D6
SCHEMBL24040865 0.70 CHRM5 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4TSHR
SCHEMBL4783519 0.70 HTR1A (0.35) OPRK1ALDH1A1CHRM3
SCHEMBL21649396 0.69 CHRM5 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4HRH3
SCHEMBL30335980 0.69 CHRM5 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4MMP1
SCHEMBL7329230 0.69 GNAI3 (0.44) CHRM5CHRM3SIGMAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-6897231-B2 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. (US) 2005-05-24 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1313711-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2003-05-28 EP disclosed
WO-2002010137-A9 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARM INC (US) 2003-02-06 WO disclosed
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC 2002-08-01 US disclosed
WO-2002010137-A2 INDAZOLE DERIVATIVES AS JNK INHIBITORS SIGNAL PHARMACEUTICALS, INC. (US) 2002-02-07 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 (6 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 OPRK1 580/4885CHRNB2 3696/4885CHRNB4 4338/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 OPRK1 710/4885CHRNB2 3397/4885CHRNB4 3808/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT OPRK1 4613/4885CHRNB2 4492/4885CHRNB4 4530/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 OPRK1 842/4885CHRNB2 3721/4885CHRNB4 3899/4885
US-20020103229-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 OPRK1 710/4885CHRNB2 3397/4885CHRNB4 3808/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R OPRK1 303/4885CHRNB2 3196/4885CHRNB4 3513/4885

“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.