SCHEMBL1355797

SCHEMBL1355797

CN(C)CC(=O)Nc1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44

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
SCHEMBL5523103 0.82 ALDH1A1 (0.64) MAPTALDH1A1HPGDKMT2AGAA
SCHEMBL7049647 0.81 MAPT (0.60) MAPTALDH1A1L3MBTL1TAAR1TUBB4A
SCHEMBL1418852 0.80 MAPT (0.48) MAPTALDH1A1HPGDL3MBTL1TAAR1
Hydrochloric Acid SCHEMBL7053170 0.79 MAPT (0.58) MAPTALDH1A1L3MBTL1TAAR1TUBB4A
SCHEMBL10916539 0.79 MAPT (0.63) MAPTALDH1A1HPGDL3MBTL1TAAR1
SCHEMBL764662 0.79 POLB (0.68) MAPTALDH1A1L3MBTL1TAAR1KMT2A
SCHEMBL98001 0.79 GAA (0.56) MAPTALDH1A1HPGDKMT2AGAA
SCHEMBL17963199 0.78 ALDH1A1 (0.79) MAPTALDH1A1HPGDL3MBTL1TAAR1
SCHEMBL9764567 0.78 MAPT (0.61) MAPTALDH1A1HPGDL3MBTL1TAAR1
Hydrochloric Acid SCHEMBL10945993 0.78 MAPT (0.61) MAPTALDH1A1HPGDL3MBTL1TAAR1

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281821-A9 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2011-11-17 US claimed
US-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 US claimed
EP-2108020-A2 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES Biogen Idec MA, Inc. (US) 2009-10-14 EP claimed
WO-2008094602-A2 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES BIOGEN IDEC MA INC. (US) 2008-08-07 WO claimed
US-6864253-B2 Benzo[4,5]thieno[2,3-c]pyridine and Benzo[4,5]furo[2,3-c]pyridine Derivatives Useful as Inhibitors of Phosphodiesterase ORTH-MCNEIL PHARMACEUTICAL, INC. (US) 2005-03-08 US claimed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US claimed
EP-1289985-A2 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-12 EP claimed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US claimed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed
US-6030969-A ADENOSINE KINASE INHIBITORS; ANTIISCHEMIA,-INFLAMMATORY, -DIABETIC AGENTS; NEUROLOGICAL AND GASTROINTESTINAL DISORDERS; NOCIPERCEPTION, IMMUNOSUPPRESSION; SEPSIS ABBOTT LABORATORIES (US) 2000-02-29 US claimed
EP-0975633-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL 2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-02 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
WO-1998046604-A1 5,6,7-TRISUBSTITUTED-4-AMINOPYRIDOL[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-1998046605-A1 5,7-DISUBSTITUTED 4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS AND THEIR USE AS ADENOSINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
EP-0767770-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-04-16 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
WO-1996000708-A1 METHOD FOR PREPARING ALKYLATING AGENTS AND THEIR USE FOR ALKYLATING CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-11 WO claimed

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-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A MAPT 3863/4885ALDH1A1 198/4885HPGD 273/4885
US-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MAPT 733/4885ALDH1A1 4063/4885HPGD 2322/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A MAPT 3863/4885ALDH1A1 198/4885HPGD 273/4885
US-20110281821-A9 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 MAPT 733/4885ALDH1A1 4063/4885HPGD 2322/4885

“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.