SCHEMBL447068

SCHEMBL447068

[CH2]CC(=O)N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
CYP1A2 P05177 1/20 0.52
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.43
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3985824 0.92 KMT2A (0.51) TDP1CYP1A2HTR1AKMT2AHTT
SCHEMBL1711871 0.82 TDP1 (0.48) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL196592 0.81 TDP1 (0.52) TDP1CYP1A2MAPTKMT2AHTT
SCHEMBL6044018 0.79 TDP1 (0.50) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL6043670 0.79 ATM (0.48) TDP1CYP1A2HTR1AKMT2AHTT
SCHEMBL799201 0.78 TDP1 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL802314 0.78 CYP1A2 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL1385227 0.78 TDP1 (0.54) TDP1CYP1A2HTR1AMAPTPHGDH
SCHEMBL772617 0.77 HSD11B1 (0.51) KMT2A
SCHEMBL206420 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664027-B1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2009-12-30 EP claimed
JP-4338974-B2 2009-10-07 JP claimed
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US claimed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US claimed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US claimed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US claimed
EP-1664023-B1 SUSTITUTED ISOQUINOLINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-08-13 EP claimed
US-7390820-B2 Substituted quinolinone derivatives and methods of use AMGEN INC. (US) 2008-06-24 US claimed
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP claimed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 EP claimed
EP-0899261-A1 Optical active 1,4-dihydropyridine compounds as bradykinin antagonists PFIZER INC. (US) 1999-03-03 EP claimed
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US claimed
EP-0589446-B1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BOEHRINGER INGELHEIM CA LTD (CA) 1997-09-03 EP claimed
EP-0589445-B1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO MEGA BOEHRINGER INGELHEIM (CA) 1997-01-15 EP claimed
US-5541163-A HYPOTENSIVE AGENTS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1996-07-30 US claimed
WO-1994007846-A1 RENIN INHIBITING N-(2-AMINO-2-OXOETHYL)BUTANEDIAMIDE DERIVATIVES BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO claimed
WO-1994007845-A1 N-(HYDROXYETHYL)BUTANEDIAMIDE DERIVATIVES AS RENIN INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-04-14 WO claimed
EP-0589445-A1 Renin Inhibiting N-(2-Amino-2-oxoethyl)Butanediamide Derivatives BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed
EP-0589446-A1 N-(Hydroxyethyl)butanediamide derivatives as renin inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-03-30 EP claimed
EP-0390693-B1 THIOFORMAMIDE DERIVATIVES RHONE-POULENC SANTE (FR) 1993-08-25 EP 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 (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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 TDP1 1360/4885CYP1A2 24/4885HTR1A 380/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 611/4885CYP1A2 87/4885HTR1A 829/4885

“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.