SCHEMBL2984852

SCHEMBL2984852

CC(C)N1CCC(C(=O)Nc2c(O)cc(Cl)cc2C(=O)Nc2ccc(Cl)cn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 15/20 1.00
▸ F2 P00734 1/20 0.46
▸ WNT1 P04628 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ NR3C1 P04150 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ DEGS1 O15121 1/20 0.43

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
Hydrochloric Acid SCHEMBL2976731 0.99 F10 (0.98) F10F2WNT1GSK3BDYRK1A
SCHEMBL13206717 0.93 F10 (0.86) F10F2WNT1GSK3BDYRK1A
SCHEMBL2473807 0.92 F10 (1.00) F10F2WNT1GSK3BDYRK1A
SCHEMBL2987629 0.92 F10 (0.85) F10F2WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL2983033 0.91 F10 (0.84) F10F2WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL2983388 0.91 F10 (0.98) F10F2WNT1GSK3BDYRK1A
SCHEMBL13206713 0.89 F10 (0.80) F10F2NR3C1MAPK1RAB9A
Malonic Acid SCHEMBL6276933 0.88 F10 (0.92) F10F2WNT1GSK3BDYRK1A
Hydrochloric Acid SCHEMBL2993202 0.88 F10 (0.79) F10F2NR3C1MAPK1RAB9A
SCHEMBL13206805 0.86 F10 (0.75) F10F2MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 — — US claimed
EP-1336605-B1 SUBSTITUTED PHENOL DERIVATIVES OR SALTS THEREOF AS INHIBITORS OF COAGULATION FACTOR X ASTELLAS PHARMA INC (JP) 2006-04-12 — — EP claimed
US-20040077555-A1 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-04-22 — — US claimed
EP-1336605-A1 SUBSTITUTED BENZENE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-20 — — EP claimed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 — — US disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 — — US disclosed
US-7786106-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-31 — — US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 — — US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 — — US disclosed
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism ASTELLAS PHARMA INC. (JP) 2009-05-28 — — US disclosed
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 — — US disclosed
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 — — US disclosed
US-7504417-B2 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2009-03-17 — — US disclosed
EP-1336605-B1 SUBSTITUTED PHENOL DERIVATIVES OR SALTS THEREOF AS INHIBITORS OF COAGULATION FACTOR X ASTELLAS PHARMA INC (JP) 2006-04-12 — — EP disclosed
US-20040077555-A1 Substituted benzene derivatives or salts thereof ASTELLAS PHARMA INC. (JP) 2004-04-22 — — US disclosed
EP-1336605-A1 SUBSTITUTED BENZENE DERIVATIVES OR SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-08-20 — — 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-20040077555-A1 Substituted benzene derivatives or salts thereof F12, F2, HABP2 F10 5/4885F2 2/4885WNT1 4158/4885
US-20090137498-A1 such as 3-[(4-methoxybenzoyl)-amino]-2-{[4-(4-methyl-1,4-diazepan-1-yl)benzoyl]amino}phenyl beta -D-glucopyranoside, used as an activated blood coagulation factor X inhibitor; anticoagulants or preventive/therapeutic agents for diseases induced by thrombosis or embolism PLG, MGAT3, F11 F10 4/4885F2 8/4885WNT1 3699/4885

“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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