SCHEMBL614172

SCHEMBL614172

C=CCCOc1cc(N)ccc1C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
ALDH1A1 P00352 5/20 0.42
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
POLB P06746 3/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
FLT3 P36888 1/20 0.36
HTT P42858 2/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 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
SCHEMBL30480685 1.00 KDM4E (0.50) KDM4ECYP1A2CYP2D6SCN1ASCN2A
SCHEMBL30480747 0.79 KDM4E (0.72) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL615999 0.79 KDM4E (0.72) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL24074069 0.79 TSHR (0.61) KDM4ECYP1A2CYP2D6SCN1ASCN2A
SCHEMBL614170 0.78 TDP1 (0.48) KDM4ELMNASMN1; SMN2MAPT
SCHEMBL10261699 0.77 KDM4E (0.49) KDM4EALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL9972743 0.75 MAOB (0.47) KDM4ECYP1A2CYP2D6SCN1ASCN2A
SCHEMBL15956286 0.74 ALDH1A1 (0.55) KDM4ECYP1A2CYP2D6SCN1ASCN2A
SCHEMBL10543456 0.73 HPGD (0.50) KDM4ECYP1A2ALDH1A1LMNASMN1; SMN2
SCHEMBL8280033 0.73 ALDH1A1 (0.73) KDM4EALDH1A1LMNASMN1; SMN2MAPT

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 24 patents — showing the first 20. 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
EP-2534152-B1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-02 EP 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-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
EP-2534152-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
EP-2534154-A1 MACROCYCLES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO 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 (9 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 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20200087312-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-12404274-B2 Macrocycles as factor xia inhibitors TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-11136327-B2 Macrocycles as factor XIA inhibitors TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20180022753-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20230058729-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KDM4E 796/4885CYP1A2 1596/4885CYP2D6 3600/4885

“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.