SCHEMBL2129702

SCHEMBL2129702

COc1cc([C@@H](C)N)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
ACHE P22303 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NFKB1 P19838 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
AKT1 P31749 3/20 0.36
RPS6KA1 Q15418 3/20 0.36
PIK3CD O00329 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL31447563 1.00 ADRB2 (0.42) ADRB2GRM2GRM3ACHECA1
SCHEMBL1237466 1.00 ADRB2 (0.42) ADRB2GRM2GRM3ACHECA1
SCHEMBL3719566 1.00 ADRB2 (0.42) ADRB2GRM2GRM3ACHECA1
Hydrochloric Acid SCHEMBL3701436 0.98 ADRB2 (0.41) ADRB2GRM2GRM3ACHECA1
Hydrochloric Acid SCHEMBL15210760 0.98 ADRB2 (0.41) ADRB2GRM2GRM3ACHECA1
Hydrochloric Acid SCHEMBL28803186 0.98 ADRB2 (0.41) ADRB2GRM2GRM3ACHECA1
Hydrochloric Acid SCHEMBL31123028 0.98 ADRB2 (0.41) ADRB2GRM2GRM3ACHECA1
SCHEMBL1239665 0.85 AKT1 (0.45) ACHECA1CA2ALDH1A1HTT
SCHEMBL17939984 0.85 AKT1 (0.45) ACHECA1CA2ALDH1A1HTT
SCHEMBL10361055 0.85 AKT1 (0.45) ACHECA1CA2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2683697-B1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2017-09-06 EP 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-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 US disclosed
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR LUPIN ATLANTIS HOLDINGS SA (CH) 2016-09-01 US disclosed
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-07-28 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
US-8785494-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO-PHARMA A/S (DK) 2014-07-22 US disclosed
US-8765676-B2 Calcium sensing receptor modulating compounds and pharmaceutical use thereof LEO PHARMA A/S (DK) 2014-07-01 US disclosed
WO-2014033604-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2014-03-06 WO disclosed
EP-2686306-A1 BENZO [B][1, 4]OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Limited (IN) 2014-01-22 EP disclosed
WO-2012127388-A1 BENZO [B] [1, 4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-09-27 WO disclosed
US-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-05-24 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-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS LEO PHARMA A/S (DK) 2012-04-26 US disclosed
WO-2010136037-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 WO disclosed
WO-2010136035-A2 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2010-12-02 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 (8 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-20120129926-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, CALCR, ORAI1 ADRB2 240/4885GRM2 449/4885GRM3 551/4885
US-20120101039-A1 CALCIUM-SENSING RECEPTOR-ACTIVE COMPOUNDS CASR, CALCR, PTH1R ADRB2 244/4885GRM2 465/4885GRM3 755/4885
US-20160250219-A1 SUBSTITUTED MORPHOLINES AS MODULATORS FOR THE CALCIUM SENSING RECEPTOR CASR, RYR1, RYR2 ADRB2 120/4885GRM2 197/4885GRM3 328/4885
US-20160214924-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, RYR1 ADRB2 181/4885GRM2 1157/4885GRM3 1352/4885
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 ADRB2 140/4885GRM2 561/4885GRM3 566/4885
US-20150239827-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 ADRB2 140/4885GRM2 561/4885GRM3 566/4885
US-20120122784-A1 NOVEL CALCIUM SENSING RECEPTOR MODULATING COMPOUNDS AND PHARMACEUTICAL USE THEREOF CASR, SARAF, ORAI1 ADRB2 235/4885GRM2 566/4885GRM3 675/4885
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 ADRB2 140/4885GRM2 561/4885GRM3 566/4885

“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.