Sugi Predict

Sugi Predict / Compounds / SCHEMBL4716807

SCHEMBL4716807

SCHEMBL4716807

CCOC(=O)N1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.67
▸ ALDH1A1 P00352 4/20 0.67
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ LMNA P02545 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ KDM4E B2RXH2 2/20 0.53
▸ GAA P10253 2/20 0.53
▸ GPR174 Q9BXC1 2/20 0.51
▸ NOS2 P35228 4/20 0.49
▸ NOS1 P29475 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NOS3 P29474 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ HCAR3 P49019 1/20 0.48

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
SCHEMBL4636292 0.92 MAPT (0.62) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL8672067 0.89 MAPT (0.69) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL11026402 0.87 MAPT (0.67) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL11845003 0.87 MAPT (0.64) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL30870562 0.86 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL22716841 0.86 ALDH1A1 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL15319957 0.86 MAPT (0.66) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL4910166 0.84 LMNA (0.63) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1925316 0.84 HCAR3 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL1925313 0.84 HCAR3 (0.52) MAPTALDH1A1SMN1; SMN2LMNAPOLB

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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
WO-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
US-20080188478-A1 Compounds Useful In Therapy PFIZER INC. 2008-08-07 — — US disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 — — EP disclosed
US-20080058376-A1 PIPERIDINES ICAGEN, INC. (US) 2008-03-06 — — US disclosed
EP-1877399-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-01-16 — — EP disclosed
US-7244744-B2 Piperidines ICAGEN, INC. (US) 2007-07-17 — — US disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — WO disclosed
WO-2006114706-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-02 — — WO disclosed
EP-1451173-A4 PIPERIDINES ICAGEN INC (US) 2005-10-26 — — EP disclosed
EP-1451173-A2 PIPERIDINES Icagen, Inc. (US) 2004-09-01 — — EP disclosed
US-20030171360-A1 Piperidines ICAGEN, INC. 2003-09-11 — — US disclosed
WO-2003037890-A2 PIPERIDINES ICAGEN, INC. (US) 2003-05-08 — — WO disclosed
US-6096763-A ADMINISTERING TO THE PATIENTS A2-OXO-1-BENZIMIDAZOLINYL)PIPERIDIN-1-YL)ALKYL)-1,2BENZISOTHIA ZOL-3-(2H)-ONE DERIVATIVE AS ALPHA-1A ADRENERGIC RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2000-08-01 — — US disclosed
US-5952351-A DERIVATIVES OF 1,1,3-TRIOXO-2-((2-OXOBENZIMIDAZOLIN- OR BENZOXAZOLIN-2-YL)-PIPERIDIN-4,1-YLENE-)-1,2-BENZISOTHIAZOLE; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA; SELECTIVE RELAXATION OF SMOOTH MUSCLE WITHOUT INDUCING HYPOTENSION MERCK & CO., INC. (US) 1999-09-14 — — US disclosed
EP-0812196-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-05-20 — — EP disclosed
EP-0812196-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1997-12-17 — — EP disclosed
WO-1996025934-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-29 — — 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 (4 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-20080058376-A1 PIPERIDINES TRPV3, SCN3A, TRPV1 MAPT 3562/4885ALDH1A1 2586/4885SMN1; SMN2 545/4885
US-20030171360-A1 Piperidines TRPV3, SCN3A, TRPV1 MAPT 3562/4885ALDH1A1 2586/4885SMN1; SMN2 545/4885
US-20080188478-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MAPT 4528/4885ALDH1A1 1333/4885SMN1; SMN2 2854/4885
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK MAPT 4670/4885ALDH1A1 612/4885SMN1; SMN2 1534/4885

“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.