SCHEMBL12166249

SCHEMBL12166249

COC(=O)[C@@H]1C[C@@H](c2ncc(-c3ccccc3)o2)CN1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.53
LMNA P02545 4/20 0.43
TP53 P04637 4/20 0.43
HCRTR2 O43614 1/20 0.42
CYP2C9 P11712 1/20 0.41
HDAC4 P56524 1/20 0.41
NPC1 O15118 2/20 0.41
FAAH O00519 3/20 0.41
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CES1 P23141 1/20 0.39
POLB P06746 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL18746166 0.85 AGTR2 (0.57) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL15099376 0.84 AGTR2 (0.52) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL15099438 0.80 AGTR2 (0.80) AGTR2HCRTR2CYP2C9HDAC4NPC1
SCHEMBL12166285 0.80 HCRTR2 (0.42) HCRTR2CYP3A4KMT2AMAPTKDM4E
SCHEMBL14509057 0.80 HCRTR2 (0.42) HCRTR2CYP3A4KMT2AMAPTKDM4E
SCHEMBL12166260 0.77 AGTR2 (0.49) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL14509606 0.77 AGTR2 (0.49) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL408805 0.77 CYP2C9 (0.56) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL406879 0.77 CYP2C9 (0.56) AGTR2LMNATP53HCRTR2CYP2C9
SCHEMBL19853295 0.75 ALDH1A1 (0.47) CYP3A4KMT2AMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
EP-2386539-A2 Modified lysine-mimetic compounds Zealand Pharma A/S (DK) 2011-11-16 EP disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 US disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 US 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 (4 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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885LMNA 174/4885TP53 4350/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885LMNA 174/4885TP53 4350/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 AGTR2 715/4885LMNA 174/4885TP53 4350/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 AGTR2 715/4885LMNA 174/4885TP53 4350/4885

“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.