SCHEMBL17480682

SCHEMBL17480682

CC(C)(C)OC(=O)c1ccc2[nH]c(C(Cc3ccccc3)c3ccc(Br)cn3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
B3GNT2 Q9NY97 1/20 0.35
PTPN1 P18031 1/20 0.35
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRA5 P31644 2/20 0.35
GABRA6 Q16445 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL17477819 0.90 SMN1; SMN2 (0.40) AAK1PTPN1OPRM1OPRD1CTDSP1
SCHEMBL19253879 0.87 CYP1A2 (0.39) AAK1OPRM1OPRD1CTDSP1CYP1A2
SCHEMBL17480684 0.78 LMNA (0.39) AAK1PTPN1CTDSP1CYP1A2CYP3A4
SCHEMBL19253880 0.75 MMP2 (0.38) AAK1B3GNT2LMNAMAPTMEN1
SCHEMBL17480678 0.74 NPC1 (0.36) SLC7A5HDAC6MEN1KMT2ASIRT2
SCHEMBL392755 0.73 MLKL (0.42) PTPN1OPRM1OPRD1CTDSP1CYP1A2
SCHEMBL17295748 0.72 MEN1 (0.47) CYP3A4CYP2C9CYP2C19HDAC6MAPT
SCHEMBL17477801 0.71 LNPEP (0.47) SLC7A5AAK1
SCHEMBL17480676 0.71 LNPEP (0.47) SLC7A5AAK1
SCHEMBL17480697 0.70 F11 (0.44) AAK1PTPN1OPRM1OPRD1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 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 (2 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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI SLC7A5 4599/4885AAK1 1521/4885B3GNT2 2385/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI SLC7A5 4599/4885AAK1 1521/4885B3GNT2 2385/4885

“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.