SCHEMBL5642352

SCHEMBL5642352

O=C(Cl)c1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 5/20 0.51
▸ F2 P00734 1/20 0.51
▸ SLC6A2 P23975 4/20 0.49
▸ SLC6A4 P31645 4/20 0.49
▸ SLC6A3 Q01959 4/20 0.49
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ P2RY1 P47900 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FPR2 P25090 1/20 0.36
▸ HSD11B1 P28845 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL5642929 0.86 F10 (0.49) F10F2SLC6A2SLC6A4SLC6A3
SCHEMBL5669697 0.78 ALDH1A1 (0.62) F10F2CYP1A2MEN1KMT2A
SCHEMBL5827078 0.78 SLC6A4 (0.59) F10F2SLC6A2SLC6A4SLC6A3
Ammonia Solution, Strong SCHEMBL5827077 0.77 SLC6A4 (0.58) F10F2SLC6A2SLC6A4SLC6A3
SCHEMBL5570726 0.76 F10 (0.50) F10F2CYP1A2MEN1KMT2A
SCHEMBL5570724 0.76 F10 (0.50) F10F2SLC6A2SLC6A4SLC6A3
SCHEMBL5569550 0.76 F10 (0.48) F10F2SLC6A2SLC6A4SLC6A3
SCHEMBL21882888 0.76 PRKAB2 (0.41) SLC6A2SLC6A4LMNAHSD11B1ALDH1A1
SCHEMBL8352677 0.75 SLC6A2 (0.51) F10F2SLC6A2SLC6A4SLC6A3
SCHEMBL5645130 0.75 SLC6A2 (0.51) F10F2SLC6A2SLC6A4SLC6A3

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
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 — — EP disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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 (1 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT F10 14/4885F2 10/4885SLC6A2 2844/4885

“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.

Send feedback