SCHEMBL3705072

SCHEMBL3705072

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc([C@@H]3CCC(=O)C3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.54
KMT2A Q03164 3/20 0.49
EPHX1 P07099 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL3697118 1.00 HDAC4 (0.54) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL4181896 0.87 HDAC4 (0.57) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL3704313 0.84 NPSR1 (0.46) KMT2ATSHRPOLBALDH1A1MEN1
SCHEMBL13046401 0.84 NPSR1 (0.46) KMT2ATSHRPOLBALDH1A1MEN1
SCHEMBL15282859 0.83 ATF4 (0.49) EPHX1POLBNAMPTALDH1A1GPR119
SCHEMBL8366262 0.82 KMT2A (0.70) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL12426680 0.82 HDAC4 (0.61) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL25401822 0.81 HDAC4 (0.60) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL17572994 0.81 HDAC4 (0.60) HDAC4KMT2AEPHX1HDAC6KDM4E
SCHEMBL7532504 0.81 HDAC4 (0.60) HDAC4KMT2AEPHX1HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US claimed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US claimed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 US disclosed
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-17 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 (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-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 HDAC4 3271/4885KMT2A 4730/4885EPHX1 2960/4885

“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.