SCHEMBL173992

SCHEMBL173992

O=C(O)C1CN(Cc2ccccc2)CCC12OCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 2/20 0.45
S1PR5 Q9H228 2/20 0.45
S1PR1 P21453 1/20 0.45
CHRM2 P08172 2/20 0.44
CHRM3 P20309 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
OPRL1 P41146 1/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL170770 0.85 SIGMAR1 (0.53) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL15720969 0.82 OPRM1 (0.49) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL10238970 0.81 ALDH1A1 (0.61) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL5871849 0.80 SIGMAR1 (0.46) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL29797081 0.80 ALDH1A1 (0.56) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL10202890 0.80 ALDH1A1 (0.60) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL10263470 0.78 ALDH1A1 (0.58) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL8967317 0.76 ALDH1A1 (0.58) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL8967313 0.76 ALDH1A1 (0.58) ALDH1A1MEN1LMNAMAPTMAPK1
SCHEMBL4509125 0.75 ALDH1A1 (0.53) ALDH1A1MEN1LMNAMAPTMAPK1

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
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 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 (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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 ALDH1A1 1124/4885MEN1 1693/4885LMNA 3594/4885

“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.