Sugi Predict

Sugi Predict / Compounds / SCHEMBL3318800

SCHEMBL3318800

SCHEMBL3318800

CC(=N)N1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CPN1 P15169 1/20 0.43
▸ CPB2 Q96IY4 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.37
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ LIPE Q05469 1/20 0.31
▸ DPP4 P27487 2/20 0.31
▸ LMNA P02545 2/20 0.30
▸ GRM3 Q14832 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ F10 P00742 1/20 0.30

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 SCHEMBL7294339 0.97 CPN1 (0.42) CPN1CPB2GPR119HTTTSHR
SCHEMBL6289961 0.85 — —
SCHEMBL18757311 0.85 — —
SCHEMBL3318797 0.79 CPN1 (0.47) CPN1CPB2NPC1F10
SCHEMBL14344826 0.79 CPN1 (0.43) CPN1CPB2DPP4F10
SCHEMBL1149395 0.79 PHGDH (0.48) CPN1CPB2LMNAGAAMAPT
SCHEMBL3895895 0.77 CPN1 (0.42) CPN1CPB2F10
SCHEMBL14344742 0.77 CPN1 (0.42) CPN1CPB2F10
SCHEMBL8164590 0.76 — —
SCHEMBL7874445 0.74 GPR119 (0.37) GPR119HTTTSHRHSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825191-B2 ANTICOAGULANT AJINOMOTO CO., INC. (JP) 2004-11-30 — — US claimed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 — — US claimed
EP-1329450-A1 BENZODIAZEPINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2003-07-23 — — EP claimed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 — — US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 — — US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 — — US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 — — EP disclosed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 — — US disclosed
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors ALLEN DARIN ARTHUR (US) 2003-12-18 — — US disclosed
US-20030225036-A1 Non-amidine containing protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-12-04 — — US disclosed
US-20030186969-A1 Benzodiazepine derivatives AJINOMOTO CO. INC (JP) 2003-10-02 — — US disclosed
EP-1265897-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-18 — — EP disclosed
EP-1242366-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-09-25 — — EP disclosed
US-20020052343-A1 Salicylamides as serine protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-05-02 — — US disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 — — EP disclosed
WO-2001070743-A1 NON-AMIDINE CONTAINING PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-09-27 — — WO disclosed
WO-2001044172-A1 SALICYLAMIDES AS SERINE PROTEASE AND FACTOR XA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-06-21 — — WO disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 — — 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 (6 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CPN1 1216/4885CPB2 23/4885GPR119 2929/4885
US-20030186969-A1 Benzodiazepine derivatives GABRA1, F11, GABRA4 CPN1 3092/4885CPB2 544/4885GPR119 501/4885
US-20030232789-A1 Salicylamides as serine protease and factor xa inhibitors TFPI, HABP2, PLAT CPN1 306/4885CPB2 35/4885GPR119 4558/4885
US-20030225036-A1 Non-amidine containing protease inhibitors TFPI, SERPINE1, HABP2 CPN1 190/4885CPB2 34/4885GPR119 3007/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI CPN1 1216/4885CPB2 23/4885GPR119 2929/4885
US-20020052343-A1 Salicylamides as serine protease inhibitors TFPI, SERPINE1, HABP2 CPN1 237/4885CPB2 34/4885GPR119 4729/4885

“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.