SCHEMBL2236490

SCHEMBL2236490

CON(C)C(=O)c1ccc(C)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
MLYCD O95822 1/20 0.45
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CASP1 P29466 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CYP3A4 P08684 2/20 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
SCHEMBL30480721 1.00 MAPT (0.58) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL29752786 0.86 MLYCD (0.47) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL4833626 0.86 MLYCD (0.47) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL4843412 0.84 MLYCD (0.49) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL11698215 0.82 MAPT (0.66) MAPTTDP1ALDH1A1LMNAGAA
SCHEMBL4433442 0.82 GAA (0.65) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL5777254 0.82 MLYCD (0.48) MAPTTDP1MLYCDALDH1A1LMNA
SCHEMBL8988251 0.80 MLYCD (0.45) MAPTMLYCDALDH1A1LMNAL3MBTL1
SCHEMBL5775088 0.80 MLYCD (0.45) MAPTTDP1MLYCDALDH1A1HTT
SCHEMBL15216403 0.80 HPGD (0.59) TDP1MLYCDALDH1A1LMNAGAA

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
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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 (6 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 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 MAPT 326/4885TDP1 2393/4885MLYCD 4493/4885

“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.