SCHEMBL19874071

SCHEMBL19874071

COC(=O)C(CC1CCC2(CC1)OCCO2)c1ccc(Br)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.39
GPR119 Q8TDV5 2/20 0.36
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
DGAT1 O75907 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
CNR2 P34972 2/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
GCK P35557 1/20 0.32

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
SCHEMBL17295745 0.87 RAB9A (0.39) RAB9ASMN1; SMN2ALDH1A1NPC1DGAT1
SCHEMBL19874404 0.84 RAB9A (0.43) RAB9ASMN1; SMN2ALDH1A1NPC1DGAT1
SCHEMBL19874327 0.84 RAB9A (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1GCK
SCHEMBL19874334 0.80 RAB9A (0.35) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL17295691 0.76 RAB9A (0.38) RAB9ASMN1; SMN2ALDH1A1NPC1HTT
SCHEMBL19874210 0.76 RAB9A (0.34) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL19874138 0.75 F11 (0.46)
SCHEMBL19874340 0.74 RAB9A (0.34) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL19874339 0.74 RAB9A (0.34) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL17479470 0.74 RAB9A (0.36) RAB9ASMN1; SMN2ALDH1A1NPC1DGAT1

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-3500556-B1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
EP-3500556-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-06-26 EP disclosed
US-10143681-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-04 US disclosed
WO-2018039094-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 WO disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 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 (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-10143681-B2 Factor XIa inhibitors F11, F2, TFPI C5AR1 337/4885GPR119 4169/4885RAB9A 1808/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI C5AR1 337/4885GPR119 4169/4885RAB9A 1808/4885

“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.