SCHEMBL614874

SCHEMBL614874

CC1(C)COB(c2ccc(C#N)cc2N)OC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.34
NSD2 O96028 1/20 0.34
PDE4B Q07343 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
PDE1A P54750 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE3A Q14432 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL30480717 0.86 KDM4E (0.35) KDM4EALDH1A1GAAPOLBNSD2
SCHEMBL2657955 0.82 CYP11B2 (0.38) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL12299446 0.81 POLB (0.32) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL30372881 0.80 ALDH1A1 (0.36) KDM4EALDH1A1GAAPOLBNSD2
SCHEMBL22637023 0.80 ALDH1A1 (0.36) KDM4EALDH1A1GAAPOLBNSD2
SCHEMBL18933773 0.80 CASP1 (0.35)
SCHEMBL1827360 0.79 CYP11B2 (0.36) POLBNSD2PDE4BMALT1BACE1
SCHEMBL20313023 0.79 PDE4B (0.31) PDE4BPDE4APDE4CPDE4DCHRM1
SCHEMBL20483671 0.79 POLB (0.32) POLBPDE4BPDE4APDE4CPDE4D
SCHEMBL615942 0.78 ALDH1A1 (0.38) KDM4EALDH1A1GAAPDE3ABACE1

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 13 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
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US 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 (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 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885ALDH1A1 4598/4885GAA 3302/4885

“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.