SCHEMBL15519620

SCHEMBL15519620

Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
NPC1 O15118 4/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MAPT P10636 2/20 0.39
ATM Q13315 2/20 0.39
STAT1 P42224 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 2/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL4812393 0.79 DHODH (0.46) RAB9AKMT2AMAPK1TDP1SLC6A2
SCHEMBL22758029 0.78 TDP1 (0.40) RAB9ANPC1KMT2AMAPK1SMN1; SMN2
SCHEMBL257906 0.77 TDP1 (0.48) RAB9ANPC1KMT2AMAPK1TDP1
SCHEMBL12602988 0.75 ALDH1A1 (0.47) RAB9ANPC1KMT2AMAPK1TDP1
SCHEMBL2592375 0.74 LMNA (0.46) RAB9ANPC1KMT2ASMN1; SMN2TDP1
SCHEMBL16342895 0.74 KMT2A (0.58) RAB9ANPC1KMT2ASMN1; SMN2TDP1
SCHEMBL15211084 0.73 RAB9A (0.50) RAB9ANPC1KMT2AMAPK1SMN1; SMN2
SCHEMBL6068448 0.73 TDP1 (0.59) RAB9ANPC1KMT2AMAPK1SMN1; SMN2
SCHEMBL25560288 0.73 ALDH1A1 (0.41) RAB9AKMT2AMAPK1TDP1SLC6A2
SCHEMBL17792724 0.72 ALDH1A1 (0.51) RAB9ANPC1KMT2AMAPK1TDP1

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 7 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-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-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
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

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 RAB9A 1333/4885NPC1 547/4885KMT2A 3280/4885
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 RAB9A 1333/4885NPC1 547/4885KMT2A 3280/4885
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 RAB9A 1333/4885NPC1 547/4885KMT2A 3280/4885

“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.