SCHEMBL3828773

SCHEMBL3828773

CO[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3N)cc2)N(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 3/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PREP P48147 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ROCK2 O75116 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ CREBBP Q92793 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ RCOR1 Q9UKL0 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RHOC P08134 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ NAMPT P43490 1/20 0.38
▸ DPP4 P27487 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL3829081 0.85 F10 (0.43) ALDH1A1ROCK2MEN1KMT2ALMNA
SCHEMBL3833424 0.84 ACHE (0.44) F11ALDH1A1HTTTSHRNAMPT
SCHEMBL3835397 0.76 F10 (0.49) CYP2C9CYP2C19ALDH1A1EP300CREBBP
SCHEMBL14143311 0.74 ABL1 (0.44) F11CYP2C9CYP2C19NPC1ALDH1A1
SCHEMBL3834146 0.74 F10 (0.48) CYP2C9CYP2C19ALDH1A1EP300CREBBP
SCHEMBL3830346 0.72 F10 (0.53) ALDH1A1RHOALMNA
SCHEMBL3016652 0.71 IGF1R (0.46) CYP2C9CYP2C19MEN1KMT2A
SCHEMBL3830235 0.70 F10 (0.43) KDM1AKMT2A
SCHEMBL3831941 0.70 F10 (0.57) F11CYP2C9CYP2C19TSHRLMNA
SCHEMBL3831945 0.70 F10 (0.57) F11CYP2C9CYP2C19TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US claimed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP claimed
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE PFIZER INC 2009-09-03 — — US disclosed
EP-2085391-A2 Inhibitors of factor XA and other serine proteases involved in the coagulation cascade Warner-Lambert Company LLC (US) 2009-08-05 — — EP disclosed
US-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade WARNER-LAMBERT COMPANY LLC 2008-11-20 — — US disclosed
US-7407974-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade PFIZER INC. (US) 2008-08-05 — — US disclosed
EP-1671949-A2 Substituted phenylamines and pyridinylamines WARNER-LAMBERT COMPANY LLC (US) 2006-06-21 — — EP disclosed
US-7030141-B2 Inhibitors of factor Xa and other serine proteases involved in the coagulation cascade WARNER-LAMBERT COMPANY LLC 2006-04-18 — — US disclosed
EP-1465864-B1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE WARNER LAMBERT CO (US) 2006-03-15 — — EP 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-20080287674-A1 Inhibitors of Factor XA and Other Serine Proteases Involved in the Coagulation Cascade TFPI, F11, F2 F11 2/4885CYP2C9 405/4885CYP2C19 656/4885
US-20090221546-A1 INHIBITORS OF FACTOR XA AND OTHER SERINE PROTEASES INVOLVED IN THE COAGULATION CASCADE F11, F2, TFPI F11 1/4885CYP2C9 392/4885CYP2C19 649/4885

“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.

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