SCHEMBL15520515

SCHEMBL15520515

CC(C)(C)OC(=O)N1CC(CCC(=O)O)Cc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
KDM1A O60341 1/20 0.41
NOTUM Q6P988 2/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RORC P51449 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
SCHEMBL15521341 0.86 NOTUM (0.48) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL8567308 0.85 NAMPT (0.46) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL8567306 0.85 NAMPT (0.46) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL8567303 0.85 NAMPT (0.46) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL16385106 0.85 NAMPT (0.46) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL6410947 0.84 NAMPT (0.46) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL15521240 0.82 NAMPT (0.44) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL16384801 0.81 NAMPT (0.43) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL16353469 0.80 NAMPT (0.42) NAMPTKDM1ANOTUMMTNR1AMTNR1B
SCHEMBL16353534 0.80 NAMPT (0.42) NAMPTKDM1ANOTUMMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-03-17 US disclosed
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-03-17 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2015-08-27 US disclosed
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2015-08-27 US disclosed
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2015-08-27 US disclosed
EP-2888225-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Limited (IN) 2015-07-01 EP disclosed
WO-2014033604-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-03-06 WO disclosed
WO-2014033604-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-03-06 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 (3 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-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 NAMPT 3418/4885KDM1A 2847/4885NOTUM 3307/4885
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 NAMPT 3418/4885KDM1A 2847/4885NOTUM 3307/4885
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 NAMPT 3418/4885KDM1A 2847/4885NOTUM 3307/4885

“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.