SCHEMBL3554092

SCHEMBL3554092

N[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCCC3=O)cc2F)C[C@@H]1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.48
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
GAA P10253 1/20 0.42
TYK2 P29597 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
PDK2 Q15119 1/20 0.39
KMT2A Q03164 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL3554089 0.88 F10 (0.49) F10KDM1AMAOBGAATYK2
SCHEMBL3549314 0.85 F10 (0.53) F10MAOBTYK2L3MBTL1ATM
SCHEMBL3550970 0.78 F10 (0.54) F10
SCHEMBL3552711 0.78 F10 (0.54) F10
SCHEMBL13436059 0.78 F10 (0.59) F10
SCHEMBL3552468 0.76 F10 (0.41) F10
SCHEMBL3554783 0.74 F10 (0.53) F10MAOBTYK2L3MBTL1ATM
SCHEMBL3549307 0.74 F10 (0.53) F10MAOBTYK2L3MBTL1ATM
SCHEMBL3554786 0.73 F10 (0.51) F10MAOBTYK2L3MBTL1ATM
SCHEMBL3556995 0.73 F10 (0.42) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 US claimed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 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 (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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 F10 3/4885KDM1A 1500/4885MAOB 331/4885

“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.