SCHEMBL615828

SCHEMBL615828

CC(C)(C)OC(=O)C=Cc1cc(Cl)ccc1-n1nccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 1/20 0.42
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
HCRTR2 O43614 9/20 0.36
HCRTR1 O43613 7/20 0.36
HTT P42858 1/20 0.34
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL30480732 1.00 XPO1 (0.42) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL615827 1.00 XPO1 (0.42) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL30194207 0.84 XPO1 (0.43) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL29053527 0.84 XPO1 (0.43) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL616224 0.82 TET2 (0.40) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL30480720 0.82 TET2 (0.40) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL478927 0.82 IDO1 (0.45) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL478926 0.82 IDO1 (0.45) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL616225 0.82 TET2 (0.40) XPO1LMNAMEN1MAPTKMT2A
SCHEMBL1196380 0.81 MAPT (0.43) LMNAMEN1MAPTKMT2AHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404274-B2 Macrocycles as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-02 US disclosed
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2023-02-23 US disclosed
US-11136327-B2 Macrocycles as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-10-05 US disclosed
EP-3786165-A1 SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2021-03-03 EP disclosed
EP-2534154-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-08-05 EP disclosed
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB (US) 2020-03-19 US disclosed
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-01-25 US disclosed
US-9802939-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-31 US disclosed
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US disclosed
US-8940720-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 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 (7 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 XPO1 523/4885LMNA 1757/4885MEN1 376/4885

“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.