SCHEMBL171033

SCHEMBL171033

CC(c1ccccc1)N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 1/20 0.50
NOTUM Q6P988 1/20 0.48
KAT2B Q92831 2/20 0.46
RECQL P46063 1/20 0.46
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL28467514 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28468740 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28467466 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28467467 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28469518 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28467513 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL28467515 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL10380722 0.91 KMT2A (0.55) KMT2ACYP2D6NOTUMLTA4HALDH1A1
SCHEMBL27481210 0.85 CNR1 (0.57) KMT2ANOTUMKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5394384 0.84 CNR1 (0.56) KMT2ANOTUMKDM4EALDH1A1

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 11 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
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 KMT2A 2803/4885CYP2D6 1453/4885NOTUM 4190/4885

“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.