SCHEMBL12470339

SCHEMBL12470339

Cc1ccc2c(c1)[C@@](C#CC1CC1)(C(F)(F)F)OC(=O)N2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 10/20 0.76
MAPT P10636 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
NR1I2 O75469 1/20 0.76
NR3C1 P04150 1/20 0.76
PGR P06401 1/20 0.76
ADRB1 P08588 1/20 0.76
ADORA3 P0DMS8 1/20 0.76
CNR1 P21554 1/20 0.76
SLC6A2 P23975 1/20 0.76
HTR2A P28223 1/20 0.76
HTR2C P28335 1/20 0.76
MAPK1 P28482 1/20 0.76
AGTR1 P30556 1/20 0.76
CCKBR P32239 1/20 0.76
PPARG P37231 1/20 0.76
OPRK1 P41145 1/20 0.76
SLC6A3 Q01959 1/20 0.76
PDE4D Q08499 1/20 0.76
PDE3A Q14432 1/20 0.76

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
SCHEMBL12470341 1.00 CYP46A1 (0.76) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL2625353 0.87 CYP46A1 (0.77) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL1702633 0.87 CYP46A1 (0.77) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL1702634 0.87 CYP46A1 (0.77) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL9925910 0.86 CYP46A1 (0.76) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL19236427 0.86 CYP46A1 (0.76) CYP46A1MAPTNPSR1NR1I2NR3C1
SCHEMBL3817561 0.86 CYP46A1 (0.76) CYP46A1MAPTNPSR1NR1I2NR3C1
Efavirenz SCHEMBL3227745 0.86 CYP46A1 (1.00) CYP46A1MAPTNPSR1NR1I2NR3C1
Efavirenz SCHEMBL464769 0.86 CYP46A1 (1.00) CYP46A1MAPTNPSR1NR1I2NR3C1
Efavirenz SCHEMBL13098636 0.86 CYP46A1 (1.00) CYP46A1MAPTNPSR1NR1I2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230172902-A1 METHODS FOR THE PROPHYLAXIS AND TREATMENT OF COVID AND COVID-19 TRAN LLOYD HUNG LOI (US) 2023-06-08 US disclosed
EP-2627627-B1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
EP-2627643-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-8993262-B2 In vivo and in vitro olefin cyclopropanation catalyzed by heme enzymes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-03-31 US disclosed
US-8969550-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-03-03 US disclosed
US-8957204-B2 Process for the synthesis of cyclic carbamates LONZA LTD. (CH) 2015-02-17 US disclosed
EP-2627642-B1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA AG (CH) 2014-12-24 EP disclosed
US-20140242647-A1 IN VIVO AND IN VITRO OLEFIN CYCLOPROPANATION CATALYZED BY HEME ENZYMES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-08-28 US disclosed
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS LONZA LTD (CH) 2013-12-05 US disclosed
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-22 US disclosed
EP-2627643-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES Lonza Ltd (CH) 2013-08-21 EP disclosed
EP-2627642-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES Lonza Ltd (CH) 2013-08-21 EP disclosed
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2013-08-15 US disclosed
WO-2012048886-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 WO disclosed
WO-2012048884-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES LONZA LTD (CH) 2012-04-19 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 (5 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-20160326101-A1 Process for the Synthesis of Chiral Propargylic Alcohols ADH1C, ADH1A, ADH5 CYP46A1 1175/4885MAPT 2493/4885NPSR1 2214/4885
US-20130217875-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, CPS1 CYP46A1 2876/4885MAPT 4313/4885NPSR1 2972/4885
US-20230172902-A1 METHODS FOR THE PROPHYLAXIS AND TREATMENT OF COVID AND COVID-19 ACE, ACE2, LPO CYP46A1 899/4885MAPT 1277/4885NPSR1 2283/4885
US-20130324763-A1 PROCESS FOR THE SYNTHESIS OF CHIRAL PROPARGYLIC ALCOHOLS ADH1C, ADH1A, ADH5 CYP46A1 1175/4885MAPT 2493/4885NPSR1 2214/4885
US-20130211077-A1 PROCESS FOR THE SYNTHESIS OF CYCLIC CARBAMATES PLCG2, PLCG1, PLCB1 CYP46A1 3608/4885MAPT 4033/4885NPSR1 3194/4885

“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.